Diff of the two buildlogs:
--
--- b1/build.log 2025-03-24 12:20:31.212508069 +0000
+++ b2/build.log 2025-03-24 12:34:16.683376124 +0000
@@ -1,6 +1,6 @@
I: pbuilder: network access will be disabled during build
-I: Current time: Sun Apr 26 06:10:39 -12 2026
-I: pbuilder-time-stamp: 1777227039
+I: Current time: Tue Mar 25 02:20:41 +14 2025
+I: pbuilder-time-stamp: 1742818841
I: Building the build Environment
I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz]
I: copying local configuration
@@ -25,52 +25,84 @@
dpkg-source: info: applying i386-fix.patch
I: Not using root during the build.
I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/1614624/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/62182/tmp/hooks/D01_modify_environment starting
+debug: Running on codethink04-arm64.
+I: Changing host+domainname to test build reproducibility
+I: Adding a custom variable just for the fun of it...
+I: Changing /bin/sh to bash
+'/bin/sh' -> '/bin/bash'
+lrwxrwxrwx 1 root root 9 Mar 24 12:20 /bin/sh -> /bin/bash
+I: Setting pbuilder2's login shell to /bin/bash
+I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other
+I: user script /srv/workspace/pbuilder/62182/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/62182/tmp/hooks/D02_print_environment starting
I: set
- BUILDDIR='/build/reproducible-path'
- BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other'
- BUILDUSERNAME='pbuilder1'
- BUILD_ARCH='arm64'
- DEBIAN_FRONTEND='noninteractive'
+ BASH=/bin/sh
+ BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath
+ BASH_ALIASES=()
+ BASH_ARGC=()
+ BASH_ARGV=()
+ BASH_CMDS=()
+ BASH_LINENO=([0]="12" [1]="0")
+ BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:.
+ BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment")
+ BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu")
+ BASH_VERSION='5.2.37(1)-release'
+ BUILDDIR=/build/reproducible-path
+ BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other'
+ BUILDUSERNAME=pbuilder2
+ BUILD_ARCH=arm64
+ DEBIAN_FRONTEND=noninteractive
DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 '
- DISTRIBUTION='unstable'
- HOME='/root'
- HOST_ARCH='arm64'
+ DIRSTACK=()
+ DISTRIBUTION=unstable
+ EUID=0
+ FUNCNAME=([0]="Echo" [1]="main")
+ GROUPS=()
+ HOME=/root
+ HOSTNAME=i-capture-the-hostname
+ HOSTTYPE=aarch64
+ HOST_ARCH=arm64
IFS='
'
- INVOCATION_ID='629fb2a79baf49fa9672dfd26a9eb430'
- LANG='C'
- LANGUAGE='en_US:en'
- LC_ALL='C'
- MAIL='/var/mail/root'
- OPTIND='1'
- PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games'
- PBCURRENTCOMMANDLINEOPERATION='build'
- PBUILDER_OPERATION='build'
- PBUILDER_PKGDATADIR='/usr/share/pbuilder'
- PBUILDER_PKGLIBDIR='/usr/lib/pbuilder'
- PBUILDER_SYSCONFDIR='/etc'
- PPID='1614624'
- PS1='# '
- PS2='> '
+ INVOCATION_ID=d62dcf285e654aae8d96d6ff1491d63c
+ LANG=C
+ LANGUAGE=nl_BE:nl
+ LC_ALL=C
+ MACHTYPE=aarch64-unknown-linux-gnu
+ MAIL=/var/mail/root
+ OPTERR=1
+ OPTIND=1
+ OSTYPE=linux-gnu
+ PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path
+ PBCURRENTCOMMANDLINEOPERATION=build
+ PBUILDER_OPERATION=build
+ PBUILDER_PKGDATADIR=/usr/share/pbuilder
+ PBUILDER_PKGLIBDIR=/usr/lib/pbuilder
+ PBUILDER_SYSCONFDIR=/etc
+ PIPESTATUS=([0]="0")
+ POSIXLY_CORRECT=y
+ PPID=62182
PS4='+ '
- PWD='/'
- SHELL='/bin/bash'
- SHLVL='2'
- SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.r4DhO2xw/pbuilderrc_4eLK --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.r4DhO2xw/b1 --logfile b1/build.log meep_1.29.0-2.dsc'
- SUDO_GID='109'
- SUDO_UID='104'
- SUDO_USER='jenkins'
- TERM='unknown'
- TZ='/usr/share/zoneinfo/Etc/GMT+12'
- USER='root'
- _='/usr/bin/systemd-run'
- http_proxy='http://192.168.101.4:3128'
+ PWD=/
+ SHELL=/bin/bash
+ SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix
+ SHLVL=3
+ SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.r4DhO2xw/pbuilderrc_st7I --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.r4DhO2xw/b2 --logfile b2/build.log meep_1.29.0-2.dsc'
+ SUDO_GID=109
+ SUDO_UID=104
+ SUDO_USER=jenkins
+ TERM=unknown
+ TZ=/usr/share/zoneinfo/Etc/GMT-14
+ UID=0
+ USER=root
+ _='I: set'
+ http_proxy=http://192.168.101.4:3128
I: uname -a
- Linux codethink03-arm64 6.1.0-32-cloud-arm64 #1 SMP Debian 6.1.129-1 (2025-03-06) aarch64 GNU/Linux
+ Linux i-capture-the-hostname 6.1.0-32-cloud-arm64 #1 SMP Debian 6.1.129-1 (2025-03-06) aarch64 GNU/Linux
I: ls -l /bin
- lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin
-I: user script /srv/workspace/pbuilder/1614624/tmp/hooks/D02_print_environment finished
+ lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/62182/tmp/hooks/D02_print_environment finished
-> Attempting to satisfy build-dependencies
-> Creating pbuilder-satisfydepends-dummy package
Package: pbuilder-satisfydepends-dummy
@@ -429,7 +461,7 @@
Get: 275 http://deb.debian.org/debian unstable/main arm64 python3-matplotlib arm64 3.8.3-7+b1 [22.9 MB]
Get: 276 http://deb.debian.org/debian unstable/main arm64 quilt all 0.68-1 [437 kB]
Get: 277 http://deb.debian.org/debian unstable/main arm64 swig arm64 4.3.0-1 [1406 kB]
-Fetched 222 MB in 1s (211 MB/s)
+Fetched 222 MB in 7s (33.3 MB/s)
Preconfiguring packages ...
Selecting previously unselected package libpython3.13-minimal:arm64.
(Reading database ...
(Reading database ... 5%
(Reading database ... 10%
(Reading database ... 15%
(Reading database ... 20%
(Reading database ... 25%
(Reading database ... 30%
(Reading database ... 35%
(Reading database ... 40%
(Reading database ... 45%
(Reading database ... 50%
(Reading database ... 55%
(Reading database ... 60%
(Reading database ... 65%
(Reading database ... 70%
(Reading database ... 75%
(Reading database ... 80%
(Reading database ... 85%
(Reading database ... 90%
(Reading database ... 95%
(Reading database ... 100%
(Reading database ... 19921 files and directories currently installed.)
@@ -1324,8 +1356,8 @@
Setting up tzdata (2025b-1) ...
Current default time zone: 'Etc/UTC'
-Local time is now: Sun Apr 26 18:11:20 UTC 2026.
-Universal Time is now: Sun Apr 26 18:11:20 UTC 2026.
+Local time is now: Mon Mar 24 12:22:29 UTC 2025.
+Universal Time is now: Mon Mar 24 12:22:29 UTC 2025.
Run 'dpkg-reconfigure tzdata' if you wish to change it.
Setting up unicode-data (15.1.0-1) ...
@@ -1577,7 +1609,11 @@
Building tag database...
-> Finished parsing the build-deps
I: Building the package
-I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.29.0-2_source.changes
+I: user script /srv/workspace/pbuilder/62182/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for unstable
+I: user script /srv/workspace/pbuilder/62182/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../meep_1.29.0-2_source.changes
dpkg-buildpackage: info: source package meep
dpkg-buildpackage: info: source version 1.29.0-2
dpkg-buildpackage: info: source distribution unstable
@@ -1853,10 +1889,10 @@
Making all in src
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
make sphere_quad
-(echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/'| sed 's/step_bfast/step_bfast_stride1/') > step_generic_stride1.cpp
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o sphere-quad.o sphere-quad.cpp
-/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
+(echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/'| sed 's/step_bfast/step_bfast_stride1/') > step_generic_stride1.cpp
+/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
(echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h
@@ -1864,39 +1900,39 @@
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
Making all in support
make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support'
-/bin/bash ../../libtool --tag=CC --mode=compile aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c -o mt19937ar.lo mt19937ar.c
+/bin/sh ../../libtool --tag=CC --mode=compile aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c -o mt19937ar.lo mt19937ar.c
libtool: compile: aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o
libtool: compile: aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1
-/bin/bash ../../libtool --tag=CC --mode=link aarch64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
+/bin/sh ../../libtool --tag=CC --mode=link aarch64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
libtool: link: aarch64-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o
libtool: link: aarch64-linux-gnu-ranlib .libs/libsupport.a
libtool: link: ( cd ".libs" && rm -f "libsupport.la" && ln -s "../libsupport.la" "libsupport.la" )
make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support'
make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array_slice.lo array_slice.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o anisotropic_averaging.lo anisotropic_averaging.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bands.lo bands.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o boundaries.lo boundaries.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bicgstab.lo bicgstab.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o casimir.lo casimir.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o cw_fields.lo cw_fields.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o dft.lo dft.cpp
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+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c boundaries.cpp -fPIC -DPIC -o .libs/boundaries.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c anisotropic_averaging.cpp -fPIC -DPIC -o .libs/anisotropic_averaging.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c casimir.cpp -fPIC -DPIC -o .libs/casimir.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c dft.cpp -fPIC -DPIC -o .libs/dft.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c bicgstab.cpp -fPIC -DPIC -o .libs/bicgstab.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fields.cpp -fPIC -DPIC -o .libs/fields.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o .libs/dft_ldos.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c bands.cpp -fPIC -DPIC -o .libs/bands.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c cw_fields.cpp -fPIC -DPIC -o .libs/cw_fields.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c array_slice.cpp -fPIC -DPIC -o .libs/array_slice.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c boundaries.cpp -fPIC -DPIC -o .libs/boundaries.o
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c dft.cpp -fPIC -DPIC -o .libs/dft.o
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c cw_fields.cpp -fPIC -DPIC -o .libs/cw_fields.o
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c bands.cpp -fPIC -DPIC -o .libs/bands.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o .libs/energy_and_flux.o
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c casimir.cpp -fPIC -DPIC -o .libs/casimir.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fields_dump.cpp -fPIC -DPIC -o .libs/fields_dump.o
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fields.cpp -fPIC -DPIC -o .libs/fields.o
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o .libs/dft_ldos.o
dft.cpp:274: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
274 | PLOOP_OVER_IVECS(fc->gv, is, ie, idx) {
In file included from fields.cpp:25:
@@ -1920,10 +1956,8 @@
fields.cpp:242:1: warning: when initialized here [-Wreorder]
242 | fields_chunk::fields_chunk(structure_chunk *the_s, const char *od, double m, double beta,
| ^~~~~~~~~~~~
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c bicgstab.cpp -fPIC -DPIC -o bicgstab.o >/dev/null 2>&1
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o dft_ldos.o >/dev/null 2>&1
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c energy_and_flux.cpp -fPIC -DPIC -o energy_and_flux.o >/dev/null 2>&1
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c bands.cpp -fPIC -DPIC -o bands.o >/dev/null 2>&1
boundaries.cpp: In member function 'meep::ivec meep::fields::ilattice_vector(meep::direction) const':
boundaries.cpp:120:7: warning: this statement may fall through [-Wimplicit-fallthrough=]
120 | switch (d) {
@@ -1931,38 +1965,45 @@
boundaries.cpp:128:5: note: here
128 | case D3:
| ^~~~
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+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c dft_ldos.cpp -fPIC -DPIC -o dft_ldos.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c fields_dump.cpp -fPIC -DPIC -o fields_dump.o >/dev/null 2>&1
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+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c material_data.cpp -fPIC -DPIC -o .libs/material_data.o
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c monitor.cpp -fPIC -DPIC -o .libs/monitor.o
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o mympi.lo mympi.cpp
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mympi.cpp -fPIC -DPIC -o .libs/mympi.o
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o multilevel-atom.lo multilevel-atom.cpp
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o .libs/multilevel-atom.o
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o near2far.lo near2far.cpp
monitor.cpp: In member function 'std::complex<double> meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const':
monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized]
327 | component cc = comp_list[com_it];
@@ -1970,25 +2011,15 @@
monitor.cpp:274:15: note: 'comp_list' declared here
274 | component comp_list[3];
| ^~~~~~~~~
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o mympi.lo mympi.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o multilevel-atom.lo multilevel-atom.cpp
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o .libs/multilevel-atom.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mympi.cpp -fPIC -DPIC -o .libs/mympi.o
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o near2far.lo near2far.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o output_directory.lo output_directory.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o random.lo random.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o sources.lo sources.cpp
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c output_directory.cpp -fPIC -DPIC -o .libs/output_directory.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c random.cpp -fPIC -DPIC -o .libs/random.o
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o output_directory.lo output_directory.cpp
mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)':
mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable]
408 | int in[5], out[5];
| ^~
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o random.lo random.cpp
mympi.cpp: In function 'void meep::abort(const char*, ...)':
mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result]
248 | vasprintf(&s, fmt, ap);
@@ -1997,11 +2028,14 @@
mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result]
692 | vasprintf(&s, fmt, ap);
| ~~~~~~~~~^~~~~~~~~~~~~
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step.lo step.cpp
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c output_directory.cpp -fPIC -DPIC -o .libs/output_directory.o
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c random.cpp -fPIC -DPIC -o .libs/random.o
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o sources.lo sources.cpp
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o .libs/sources.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mympi.cpp -fPIC -DPIC -o mympi.o >/dev/null 2>&1
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o
-step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
- 144 | CHUNK_OPENMP
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step.lo step.cpp
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1
In file included from sources.cpp:27:
meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector<long int>&&, std::vector<std::complex<double> >&&, bool)':
meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder]
@@ -2013,8 +2047,7 @@
sources.cpp:168:1: warning: when initialized here [-Wreorder]
168 | src_vol::src_vol(component cc, src_time *st, std::vector<ptrdiff_t> &&ind,
| ^~~~~~~
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o multilevel-atom.o >/dev/null 2>&1
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_db.lo step_db.cpp
output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)':
output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=]
115 | snprintf(outdirname, buflen, "%s-out", basename);
@@ -2059,33 +2092,30 @@
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
70 | __va_arg_pack ());
| ~~~~~~~~~~~~~~~~~
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-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1
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+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c random.cpp -fPIC -DPIC -o random.o >/dev/null 2>&1
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o
+step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
+ 144 | CHUNK_OPENMP
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o .libs/step_db.o
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c output_directory.cpp -fPIC -DPIC -o output_directory.o >/dev/null 2>&1
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o stress.lo stress.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o structure.lo structure.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o structure_dump.lo structure_dump.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o
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-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o susceptibility.lo susceptibility.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1
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-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o time.lo time.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o update_eh.lo update_eh.cpp
susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
228 | PLOOP_OVER_VOL_OWNED(gv, c, i) {
susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
242 | PLOOP_OVER_VOL_OWNED(gv, c, i) {
susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
252 | PLOOP_OVER_VOL_OWNED(gv, c, i) {
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o
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-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o mpb.lo mpb.cpp
step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)':
step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable]
189 | const int dk = gv.iyee_shift(cc).in_direction(dsig);
@@ -2093,9 +2123,14 @@
step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable]
192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu);
| ^~~
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o
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+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o
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+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1
structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)':
structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=]
296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d);
@@ -2131,17 +2166,17 @@
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
70 | __va_arg_pack ());
| ~~~~~~~~~~~~~~~~~
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-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o vec.lo vec.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic.lo step_generic.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meepgeom.lo meepgeom.cpp
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic.lo step_generic.cpp
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meepgeom.lo meepgeom.cpp
step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
90 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
@@ -2258,30 +2293,12 @@
775 | PLOOP_OVER_IVECS(gv, is, ie, i) {
step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; }
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp
meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas]
2959 | #pragma unroll
-step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)':
-step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable]
- 434 | realnum dt2 = dt * 0.5;
- | ^~~
-step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter]
- 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig,
- | ~~~~~~~~^~~~
-step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter]
- 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu,
- | ~~~~~~~~~~^~~
-step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter]
- 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu,
- | ~~~~~~~~~~^~~
-step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter]
- 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd,
- | ~~~~~~~~~~^~~~
-step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter]
- 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd,
- | ~~~~~~~~~~^~~~
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o
step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) {
@@ -2457,6 +2474,25 @@
step_generic_stride1.cpp:784: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas]
784 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; }
step_generic_stride1.cpp:784: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas]
+step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)':
+step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable]
+ 434 | realnum dt2 = dt * 0.5;
+ | ^~~
+step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter]
+ 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig,
+ | ~~~~~~~~^~~~
+step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter]
+ 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu,
+ | ~~~~~~~~~~^~~
+step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter]
+ 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu,
+ | ~~~~~~~~~~^~~
+step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter]
+ 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd,
+ | ~~~~~~~~~~^~~~
+step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter]
+ 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd,
+ | ~~~~~~~~~~^~~~
meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)':
meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra]
711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) {
@@ -2513,16 +2549,15 @@
meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector<meep::dft_chunk*>::size_type' {aka 'long unsigned int'} [-Wsign-compare]
3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) {
| ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1
meepgeom.cpp: In function 'std::complex<double> meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)':
meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type]
2617 | }
| ^
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1
step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)':
step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable]
436 | realnum dt2 = dt * 0.5;
| ^~~
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1
step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter]
339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig,
| ~~~~~~~~^~~~
@@ -2538,8 +2573,8 @@
step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter]
341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd,
| ~~~~~~~~~~^~~~
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1
-libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1
meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex<double>, std::complex<double>, double, meep::grid_volume&, double)':
meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized]
2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval,
@@ -2549,10 +2584,11 @@
meepgeom.cpp:2760:7: note: 'kind' was declared here
2760 | int kind;
| ^~~~
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1
-/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
+/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.33 -o .libs/libmeep.so.33.0.0
libtool: link: (cd ".libs" && rm -f "libmeep.so.33" && ln -s "libmeep.so.33.0.0" "libmeep.so.33")
libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.33.0.0" "libmeep.so")
@@ -2580,14 +2616,14 @@
;;; or pass the --no-auto-compile argument to disable.
;;; compiling /usr/share/libctl/base/include.scm
;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go
-cp -f /usr/share/libctl/base/main.c main.cpp
-cp -f /usr/share/libctl/utils/geom.c geom.cpp
-gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl
;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0
;;; or pass the --no-auto-compile argument to disable.
;;; compiling /usr/share/libctl/base/include.scm
;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go
swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i
+cp -f /usr/share/libctl/base/main.c main.cpp
+cp -f /usr/share/libctl/utils/geom.c geom.cpp
+gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl
patch -p0 meep_wrap.cxx < ./meep_wrap.patch
patching file meep_wrap.cxx
Hunk #1 succeeded at 817 (offset 66 lines).
@@ -2641,24 +2677,6 @@
geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable]
2357 | vector3 axisp = vector3_scale(height, zhatp);
| ^~~~~
-In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)',
- inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40:
-structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized]
- 581 | mat2 = mat1;
- | ~~~~~^~~~~~
-structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)':
-structure.cpp:509:17: note: 'mat1' declared here
- 509 | material_type mat1, mat2;
- | ^~~~
-In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)',
- inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40:
-structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized]
- 595 | mat_front = mat1;
- | ~~~~~~~~~~^~~~~~
-structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)':
-structure.cpp:509:17: note: 'mat1' declared here
- 509 | material_type mat1, mat2;
- | ^~~~
meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)':
meep_wrap.cxx:36080:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36080 | arg1 = (meep::component const) scm_to_int(argv[0]);
@@ -2680,13 +2698,31 @@
meep_wrap.cxx:36212:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers]
36212 | arg2 = (meep::component const) scm_to_int(argv[1]);
| ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
+In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)',
+ inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40:
+structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized]
+ 581 | mat2 = mat1;
+ | ~~~~~^~~~~~
+structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)':
+structure.cpp:509:17: note: 'mat1' declared here
+ 509 | material_type mat1, mat2;
+ | ^~~~
+In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)',
+ inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40:
+structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized]
+ 595 | mat_front = mat1;
+ | ~~~~~~~~~~^~~~~~
+structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)':
+structure.cpp:509:17: note: 'mat1' declared here
+ 509 | material_type mat1, mat2;
+ | ^~~~
+/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
Making all in libpympb
make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb'
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp
+/bin/sh ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o
pympb.cpp:46:1: warning: multi-line comment [-Wcomment]
46 | // #define LOOP_XYZ(md) \
@@ -2711,7 +2747,7 @@
2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm);
| ^~~~~~~~~~~~~
libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1
-/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
+/bin/sh ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0
libtool: link: (cd ".libs" && rm -f "libpympb.so.33" && ln -s "libpympb.so.33.0.0" "libpympb.so.33")
libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.33.0.0" "libpympb.so")
@@ -2737,8 +2773,8 @@
fi
make all-am
make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx
-/bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx
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libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o
In file included from mpb-python.cxx:3409:
@@ -2808,93229 +2844,40 @@
meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter]
126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) {
| ~~~~~~~~~~^~~~
+libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1
In file included from meep-python.cxx:4104:
typemap_utils.cpp: At global scope:
typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function]
115 | static PyObject *py_volume_object() {
| ^~~~~~~~~~~~~~~~
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-mkdir -p meep/adjoint
-cp __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py .libs/_meep.so meep
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-libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/gdsII-3d gdsII-3d.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
-aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bend-flux-ll.o bend-flux-ll.cpp
-/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bend-flux-ll bend-flux-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
-libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/bend-flux-ll bend-flux-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
-aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array-metadata.o array-metadata.cpp
-/bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
-libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/array-metadata array-metadata.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm
-make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
-make check-TESTS
-make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
-make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
-PASS: aniso_disp
-PASS: bench
-PASS: bragg_transmission
-PASS: convergence_cyl_waveguide
-PASS: cylindrical
-PASS: dump_load
-PASS: flux
-PASS: harmonics
-PASS: integrate
-PASS: known_results
-PASS: near2far
-PASS: one_dimensional
-PASS: physical
-PASS: stress_tensor
-PASS: symmetry
-PASS: three_d
-PASS: two_dimensional
-PASS: 2D_convergence
-PASS: h5test
-PASS: pml
-PASS: cyl-ellipsoid-ll
-PASS: array-slice-ll
-PASS: ring-ll
-============================================================================
-Testsuite summary for meep 1.29.0
-============================================================================
-# TOTAL: 23
-# PASS: 23
-# SKIP: 0
-# XFAIL: 0
-# FAIL: 0
-# XPASS: 0
-# ERROR: 0
-============================================================================
-make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
-make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
-make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
-Making check in scheme
-make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
-make check-am
-make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
-make[4]: Nothing to be done for 'check-am'.
-make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
-make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
-Making check in libpympb
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-Making check in python
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-make check-am
-make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
-make check-TESTS
-make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
-make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
-PASS: tests/test_3rd_harm_1d.py
-PASS: tests/test_absorber_1d.py
-FAIL: tests/test_adjoint_solver.py
-FAIL: tests/test_adjoint_utils.py
-FAIL: tests/test_adjoint_cyl.py
-FAIL: tests/test_adjoint_jax.py
-PASS: tests/test_antenna_radiation.py
-PASS: tests/test_array_metadata.py
-PASS: tests/test_bend_flux.py
-FAIL: tests/test_binary_partition_utils.py
-FAIL: tests/test_binary_grating.py
-PASS: tests/test_cavity_arrayslice.py
-PASS: tests/test_cavity_farfield.py
-FAIL: tests/test_chunk_balancer.py
-PASS: tests/test_chunk_layout.py
-PASS: tests/test_chunks.py
-PASS: tests/test_conductivity.py
-PASS: tests/test_cyl_ellipsoid.py
-PASS: tests/test_dft_energy.py
-PASS: tests/test_dft_fields.py
-PASS: tests/test_diffracted_planewave.py
-PASS: tests/test_dispersive_eigenmode.py
-PASS: tests/test_divide_mpi_processes.py
-PASS: tests/test_dump_load.py
-PASS: tests/test_eigfreq.py
-PASS: tests/test_faraday_rotation.py
-PASS: tests/test_field_functions.py
-PASS: tests/test_force.py
-PASS: tests/test_fragment_stats.py
-PASS: tests/test_gaussianbeam.py
-PASS: tests/test_geom.py
-PASS: tests/test_get_point.py
-FAIL: tests/test_get_epsilon_grid.py
-PASS: tests/test_holey_wvg_bands.py
-PASS: tests/test_holey_wvg_cavity.py
-PASS: tests/test_integrated_source.py
-PASS: tests/test_kdom.py
-PASS: tests/test_ldos.py
-PASS: tests/test_material_dispersion.py
-FAIL: tests/test_material_grid.py
-PASS: tests/test_materials_library.py
-PASS: tests/test_medium_evaluations.py
-FAIL: tests/test_mpb.py
-PASS: tests/test_mode_coeffs.py
-FAIL: tests/test_mode_decomposition.py
-FAIL: tests/test_multilevel_atom.py
-PASS: tests/test_n2f_periodic.py
-PASS: tests/test_oblique_source.py
-FAIL: tests/test_pml_cyl.py
-PASS: tests/test_physical.py
-PASS: tests/test_prism.py
-PASS: tests/test_pw_source.py
-FAIL: tests/test_refl_angular.py
-FAIL: tests/test_ring.py
-PASS: tests/test_ring_cyl.py
-PASS: tests/test_simulation.py
-FAIL: tests/test_special_kz.py
-PASS: tests/test_source.py
-PASS: tests/test_timing_measurements.py
-PASS: tests/test_user_defined_material.py
-PASS: tests/test_verbosity_mgr.py
-PASS: tests/test_visualization.py
-PASS: tests/test_wvg_src.py
-============================================================================
-Testsuite summary for meep 1.29.0
-============================================================================
-# TOTAL: 63
-# PASS: 47
-# SKIP: 0
-# XFAIL: 0
-# FAIL: 16
-# XPASS: 0
-# ERROR: 0
-============================================================================
-See python/test-suite.log for debugging.
-============================================================================
-make[6]: *** [Makefile:1119: test-suite.log] Error 1
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-make[5]: *** [Makefile:1254: check-TESTS] Error 2
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-make[4]: *** [Makefile:1318: check-am] Error 2
-make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
-make[3]: *** [Makefile:1320: check] Error 2
-make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
-make[2]: *** [Makefile:523: check-recursive] Error 1
-make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0'
-.
-./meep.pc
-./libtool
-./stamp-h1
-./config.h
-./meep-pkgconfig
-./Makefile
-./config.status
-./config.log
-./test-driver
-./depcomp
-./py-compile
-./Makefile.in
-./missing
-./install-sh
-./config.sub
-./config.guess
-./compile
-./config.h.in
-./configure
-./aclocal.m4
-./ltmain.sh
-./autom4te.cache
-./autom4te.cache/output.1
-./autom4te.cache/traces.1
-./autom4te.cache/output.3
-./autom4te.cache/traces.3
-./autom4te.cache/output.2
-./autom4te.cache/traces.2
-./autom4te.cache/output.0
-./autom4te.cache/traces.0
-./autom4te.cache/requests
-./configure.ac
-./.pc
-./.pc/python-distutils.patch
-./.pc/python-distutils.patch/python
-./.pc/python-distutils.patch/python/visualization.py
-./.pc/python-distutils.patch/doc
-./.pc/python-distutils.patch/doc/docs
-./.pc/python-distutils.patch/doc/docs/setup.py
-./.pc/python-distutils.patch/configure.ac
-./.pc/applied-patches
-./.pc/.quilt_series
-./.pc/.quilt_patches
-./.pc/.version
-./debian
-./debian/.debhelper
-./debian/.debhelper/generated
-./debian/.debhelper/generated/_source
-./debian/.debhelper/generated/_source/home
-./debian/.debhelper/generated/_source/home/.cache
-./debian/.debhelper/generated/_source/home/.cache/guile
-./debian/.debhelper/generated/_source/home/.cache/guile/ccache
-./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7
-./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr
-./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share
-./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl
-./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base
-./debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go
-./debian/autoreconf.after
-./debian/autoreconf.before
-./debian/watch
-./debian/upstream
-./debian/upstream/metadata
-./debian/source
-./debian/source/lintian-overrides
-./debian/source/format
-./debian/rules
-./debian/python3-meep.prerm
-./debian/python3-meep.postinst
-./debian/python3-meep.install
-./debian/patches
-./debian/patches/series
-./debian/patches/python-distutils.patch
-./debian/patches/i386-fix.patch
-./debian/missing-sources
-./debian/missing-sources/modernizr-2.8.3.js
-./debian/missing-sources/jquery-2.1.1.js
-./debian/missing-sources/highlight.js
-./debian/meep.manpages
-./debian/meep.install
-./debian/meep.docs
-./debian/meep.1
-./debian/libmeep33.lintian-overrides
-./debian/libmeep33.install
-./debian/libmeep-dev.install
-./debian/docs
-./debian/copyright
-./debian/control
-./debian/changelog
-./debian/README.source
-./version.sh
-./tests
-./tests/test-suite.log
-./tests/ring-ll.trs
-./tests/ring-ll.log
-./tests/array-slice-ll.trs
-./tests/array-slice-ll.log
-./tests/cyl-ellipsoid-ll.trs
-./tests/eps-000000000.h5
-./tests/cyl-ellipsoid-ll.log
-./tests/pml.trs
-./tests/pml.log
-./tests/h5test.trs
-./tests/h5test.log
-./tests/2D_convergence.trs
-./tests/2D_convergence.log
-./tests/two_dimensional.trs
-./tests/two_dimensional.log
-./tests/three_d.trs
-./tests/three_d.log
-./tests/symmetry.trs
-./tests/symmetry.log
-./tests/stress_tensor.trs
-./tests/stress_tensor.log
-./tests/physical.trs
-./tests/physical.log
-./tests/one_dimensional.trs
-./tests/one_dimensional.log
-./tests/near2far.trs
-./tests/near2far.log
-./tests/known_results.trs
-./tests/known_results.log
-./tests/integrate.trs
-./tests/integrate.log
-./tests/harmonics.trs
-./tests/harmonics.log
-./tests/flux.trs
-./tests/flux.log
-./tests/dump_load.trs
-./tests/dump_load.log
-./tests/cylindrical.trs
-./tests/cylindrical.log
-./tests/convergence_cyl_waveguide.trs
-./tests/convergence_cyl_waveguide.log
-./tests/bragg_transmission.trs
-./tests/bragg_transmission.log
-./tests/bench.trs
-./tests/bench.log
-./tests/aniso_disp.trs
-./tests/aniso_disp.log
-./tests/array-metadata
-./tests/array-metadata.o
-./tests/bend-flux-ll
-./tests/bend-flux-ll.o
-./tests/gdsII-3d
-./tests/gdsII-3d.o
-./tests/dft-fields
-./tests/dft-fields.o
-./tests/user-defined-material
-./tests/user-defined-material.o
-./tests/array-slice-ll
-./tests/array-slice-ll.o
-./tests/absorber-1d-ll
-./tests/absorber-1d-ll.o
-./tests/cyl-ellipsoid-ll
-./tests/cyl-ellipsoid-ll.o
-./tests/ring-ll
-./tests/ring-ll.o
-./tests/pw-source-ll
-./tests/pw-source-ll.o
-./tests/pml
-./tests/pml.o
-./tests/h5test
-./tests/h5test.o
-./tests/2D_convergence
-./tests/2D_convergence.o
-./tests/two_dimensional
-./tests/two_dimensional.o
-./tests/three_d
-./tests/three_d.o
-./tests/symmetry
-./tests/symmetry.o
-./tests/stress_tensor
-./tests/stress_tensor.o
-./tests/physical
-./tests/physical.o
-./tests/one_dimensional
-./tests/one_dimensional.o
-./tests/near2far
-./tests/near2far.o
-./tests/known_results
-./tests/known_results.o
-./tests/integrate
-./tests/integrate.o
-./tests/harmonics
-./tests/harmonics.o
-./tests/flux
-./tests/flux.o
-./tests/dump_load
-./tests/dump_load.o
-./tests/cylindrical
-./tests/cylindrical.o
-./tests/convergence_cyl_waveguide
-./tests/convergence_cyl_waveguide.o
-./tests/bragg_transmission
-./tests/bragg_transmission.o
-./tests/bench
-./tests/bench.o
-./tests/aniso_disp
-./tests/.libs
-./tests/.libs/array-metadata
-./tests/.libs/bend-flux-ll
-./tests/.libs/gdsII-3d
-./tests/.libs/dft-fields
-./tests/.libs/user-defined-material
-./tests/.libs/array-slice-ll
-./tests/.libs/absorber-1d-ll
-./tests/.libs/cyl-ellipsoid-ll
-./tests/.libs/ring-ll
-./tests/.libs/pw-source-ll
-./tests/.libs/pml
-./tests/.libs/h5test
-./tests/.libs/2D_convergence
-./tests/.libs/two_dimensional
-./tests/.libs/three_d
-./tests/.libs/symmetry
-./tests/.libs/stress_tensor
-./tests/.libs/physical
-./tests/.libs/one_dimensional
-./tests/.libs/near2far
-./tests/.libs/known_results
-./tests/.libs/integrate
-./tests/.libs/harmonics
-./tests/.libs/flux
-./tests/.libs/dump_load
-./tests/.libs/cylindrical
-./tests/.libs/convergence_cyl_waveguide
-./tests/.libs/bragg_transmission
-./tests/.libs/bench
-./tests/.libs/aniso_disp
-./tests/aniso_disp.o
-./tests/Makefile
-./tests/Makefile.in
-./tests/user-defined-material.cpp
-./tests/two_dimensional.cpp
-./tests/three_d.cpp
-./tests/symmetry.cpp
-./tests/stress_tensor.cpp
-./tests/ring-ll.cpp
-./tests/pw-source-ll.cpp
-./tests/pml.cpp
-./tests/physical.cpp
-./tests/one_dimensional.cpp
-./tests/near2far.cpp
-./tests/known_results.cpp
-./tests/integrate.cpp
-./tests/harmonics.cpp
-./tests/h5test.cpp
-./tests/gdsII-3d.gds
-./tests/gdsII-3d.cpp
-./tests/flux.cpp
-./tests/dump_load.cpp
-./tests/dft-fields.cpp
-./tests/cylindrical.cpp
-./tests/cyl-ellipsoid.ctl
-./tests/cyl-ellipsoid-ll.cpp
-./tests/cyl-ellipsoid-eps-ref.h5
-./tests/convergence_cyl_waveguide.cpp
-./tests/bragg_transmission.cpp
-./tests/bend-flux-ll.cpp
-./tests/bench.cpp
-./tests/array-slice-ll.cpp
-./tests/array-slice-ll-ref.h5
-./tests/array-metadata.cpp
-./tests/aniso_disp.cpp
-./tests/absorber-1d-ll.cpp
-./tests/Makefile.am
-./tests/2D_convergence.cpp
-./src
-./src/libmeep.la
-./src/step_generic_stride1.lo
-./src/step_generic_stride1.o
-./src/step_generic.lo
-./src/step_generic.o
-./src/meepgeom.lo
-./src/structure.lo
-./src/meepgeom.o
-./src/structure.o
-./src/step_db.lo
-./src/vec.lo
-./src/step_db.o
-./src/vec.o
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-./doc/docs/Scheme_Tutorials/Near_to_Far_Field_Spectra.md
-./doc/docs/Scheme_Tutorials/Multilevel_Atomic_Susceptibility.md
-./doc/docs/Scheme_Tutorials/Mode_Decomposition.md
-./doc/docs/Scheme_Tutorials/Material_Dispersion.md
-./doc/docs/Scheme_Tutorials/Local_Density_of_States.md
-./doc/docs/Scheme_Tutorials/Gyrotropic_Media.md
-./doc/docs/Scheme_Tutorials/Frequency_Domain_Solver.md
-./doc/docs/Scheme_Tutorials/Eigenmode_Source.md
-./doc/docs/Scheme_Tutorials/Cylindrical_Coordinates.md
-./doc/docs/Scheme_Tutorials/Custom_Source.md
-./doc/docs/Scheme_Tutorials/Casimir_Forces.md
-./doc/docs/Scheme_Tutorials/Basics.md
-./doc/docs/Replacements.vim
-./doc/docs/Python_User_Interface.md.in
-./doc/docs/Python_User_Interface.md
-./doc/docs/Python_Tutorials
-./doc/docs/Python_Tutorials/Third_Harmonic_Generation.md
-./doc/docs/Python_Tutorials/Resonant_Modes_and_Transmission_in_a_Waveguide_Cavity.md
-./doc/docs/Python_Tutorials/Optical_Forces.md
-./doc/docs/Python_Tutorials/Near_to_Far_Field_Spectra.md
-./doc/docs/Python_Tutorials/Multilevel_Atomic_Susceptibility.md
-./doc/docs/Python_Tutorials/Mode_Decomposition.md
-./doc/docs/Python_Tutorials/Material_Dispersion.md
-./doc/docs/Python_Tutorials/Local_Density_of_States.md
-./doc/docs/Python_Tutorials/Gyrotropic_Media.md
-./doc/docs/Python_Tutorials/GDSII_Import.md
-./doc/docs/Python_Tutorials/Frequency_Domain_Solver.md
-./doc/docs/Python_Tutorials/Eigenmode_Source.md
-./doc/docs/Python_Tutorials/Cylindrical_Coordinates.md
-./doc/docs/Python_Tutorials/Custom_Source.md
-./doc/docs/Python_Tutorials/Basics.md
-./doc/docs/Python_Tutorials/Adjoint_Solver.md
-./doc/docs/Python_Developer_Information.md
-./doc/docs/Perfectly_Matched_Layer.md
-./doc/docs/Parallel_Meep.md
-./doc/docs/Mode_Decomposition.md
-./doc/docs/Materials.md
-./doc/docs/License_and_Copyright.md
-./doc/docs/Introduction.md
-./doc/docs/Installation.md
-./doc/docs/Guile_and_Scheme_Information.md
-./doc/docs/Field_Functions.md
-./doc/docs/FAQ.md
-./doc/docs/Exploiting_Symmetry.md
-./doc/docs/Eigensolver_Math.md
-./doc/docs/Download.md
-./doc/docs/Developer_Codes
-./doc/docs/Developer_Codes/WriteChunkInfo.cpp
-./doc/docs/Developer_Codes/Makefile.manual
-./doc/docs/Chunks_and_Symmetry.md
-./doc/docs/C++_Tutorial.md
-./doc/docs/C++_Developer_Information.md
-./doc/docs/Build_From_Source.md
-./doc/docs/Acknowledgements.md
-./doc/docs/2d_Cell_Special_kz.md
-./doc/bfast
-./doc/bfast/fixed_angle_broadband_simulations_in_Meep.md
-./doc/_api_snippets
-./doc/_api_snippets/method_template.md
-./doc/_api_snippets/function_template.md
-./doc/_api_snippets/class_template.md
-./doc/README.md
-./contrib
-./contrib/build-meep.sh
-./codemeta.json
-./codecov.yml
-./autogen.sh
-./add_type_hints.xonsh
-./TODO
-./README.md
-./NEWS.md
-./Makefile.am
-./LICENSE
-./COPYRIGHT
-./AUTHORS
-./.travis.yml
-./.sourcery.yaml
-./.readthedocs.yaml
-./.pre-commit-config.yaml
-./.mailmap
-./.gitignore
-./.github
-./.github/workflows
-./.github/workflows/pre-commit.yml
-./.github/workflows/build-san.yml
-./.github/workflows/build-ci.yml
-./.github/dependabot.yml
-./.gitattributes
-./.flake8
-./.clang-format
-========================================
- meep 1.29.0: python/test-suite.log
-========================================
-
-# TOTAL: 63
-# PASS: 47
-# SKIP: 0
-# XFAIL: 0
-# FAIL: 16
-# XPASS: 0
-# ERROR: 0
-
-System information (uname -a): Linux 6.1.0-32-cloud-arm64 #1 SMP Debian 6.1.129-1 (2025-03-06) aarch64
-Distribution information (/etc/os-release):
-PRETTY_NAME="Debian GNU/Linux trixie/sid"
-NAME="Debian GNU/Linux"
-VERSION_CODENAME=trixie
-ID=debian
-HOME_URL="https://www.debian.org/"
-SUPPORT_URL="https://www.debian.org/support"
-BUG_REPORT_URL="https://bugs.debian.org/"
-
-.. contents:: :depth: 2
-
-FAIL: tests/test_adjoint_solver
-===============================
-
-Matplotlib created a temporary cache directory at /tmp/matplotlib-b9wr_vr2 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 4, in <module>
- import meep.adjoint as mpa
- File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
- from .optimization_problem import OptimizationProblem
- File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
- from autograd import grad, jacobian
-ModuleNotFoundError: No module named 'autograd'
-
-During handling of the above exception, another exception occurred:
-
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 6, in <module>
- import adjoint as mpa
- File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in <module>
- from .optimization_problem import OptimizationProblem
- File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in <module>
- from autograd import grad, jacobian
-ModuleNotFoundError: No module named 'autograd'
-
-Elapsed run time = 0.2389 s
-FAIL tests/test_adjoint_solver.py (exit status: 1)
-
-FAIL: tests/test_adjoint_utils
-==============================
-
-Matplotlib created a temporary cache directory at /tmp/matplotlib-l2oxefjy because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 11, in <module>
- import meep.adjoint as mpa
- File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
- from .optimization_problem import OptimizationProblem
- File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
- from autograd import grad, jacobian
-ModuleNotFoundError: No module named 'autograd'
-
-During handling of the above exception, another exception occurred:
-
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 13, in <module>
- import adjoint as mpa
- File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in <module>
- from .optimization_problem import OptimizationProblem
- File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in <module>
- from autograd import grad, jacobian
-ModuleNotFoundError: No module named 'autograd'
-
-Elapsed run time = 0.2085 s
-FAIL tests/test_adjoint_utils.py (exit status: 1)
-
-FAIL: tests/test_adjoint_cyl
-============================
-
-Matplotlib created a temporary cache directory at /tmp/matplotlib-t451k5jx because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 4, in <module>
- import meep.adjoint as mpa
- File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
- from .optimization_problem import OptimizationProblem
- File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
- from autograd import grad, jacobian
-ModuleNotFoundError: No module named 'autograd'
-
-During handling of the above exception, another exception occurred:
-
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 6, in <module>
- import adjoint as mpa
- File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in <module>
- from .optimization_problem import OptimizationProblem
- File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in <module>
- from autograd import grad, jacobian
-ModuleNotFoundError: No module named 'autograd'
-
-Elapsed run time = 0.2155 s
-FAIL tests/test_adjoint_cyl.py (exit status: 1)
-
-FAIL: tests/test_adjoint_jax
-============================
-
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_jax.py", line 3, in <module>
- import jax
-ModuleNotFoundError: No module named 'jax'
-FAIL tests/test_adjoint_jax.py (exit status: 1)
-
-FAIL: tests/test_binary_partition_utils
-=======================================
-
-Matplotlib created a temporary cache directory at /tmp/matplotlib-f6c4hssf because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_partition_utils.py", line 6, in <module>
- import parameterized
-ModuleNotFoundError: No module named 'parameterized'
-
-Elapsed run time = 0.0030 s
-FAIL tests/test_binary_partition_utils.py (exit status: 1)
-
-FAIL: tests/test_binary_grating
-===============================
-
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_grating.py", line 6, in <module>
- import parameterized
-ModuleNotFoundError: No module named 'parameterized'
-FAIL tests/test_binary_grating.py (exit status: 1)
-
-FAIL: tests/test_chunk_balancer
-===============================
-
-Matplotlib created a temporary cache directory at /tmp/matplotlib-v1htnv7f because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_chunk_balancer.py", line 5, in <module>
- import parameterized
-ModuleNotFoundError: No module named 'parameterized'
-
-Elapsed run time = 0.0013 s
-FAIL tests/test_chunk_balancer.py (exit status: 1)
-
-FAIL: tests/test_get_epsilon_grid
-=================================
-
-Matplotlib created a temporary cache directory at /tmp/matplotlib-4qrwjttn because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_get_epsilon_grid.py", line 3, in <module>
- import meep.adjoint as mpa
- File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
- from .optimization_problem import OptimizationProblem
- File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
- from autograd import grad, jacobian
-ModuleNotFoundError: No module named 'autograd'
-
-Elapsed run time = 0.2147 s
-FAIL tests/test_get_epsilon_grid.py (exit status: 1)
-
-FAIL: tests/test_material_grid
-==============================
-
-Matplotlib created a temporary cache directory at /tmp/matplotlib-rx0037u5 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 4, in <module>
- import meep.adjoint as mpa
- File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in <module>
- from .optimization_problem import OptimizationProblem
- File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in <module>
- from autograd import grad, jacobian
-ModuleNotFoundError: No module named 'autograd'
-
-During handling of the above exception, another exception occurred:
-
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 6, in <module>
- import adjoint as mpa
- File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in <module>
- from .optimization_problem import OptimizationProblem
- File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in <module>
- from autograd import grad, jacobian
-ModuleNotFoundError: No module named 'autograd'
-
-Elapsed run time = 0.2119 s
-FAIL tests/test_material_grid.py (exit status: 1)
-
-FAIL: tests/test_mpb
-====================
-
-Matplotlib created a temporary cache directory at /tmp/matplotlib-_1uqvpmt because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
-
-/tmp/meepg15Lzl/test_anisotropic_2d_gap-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.3, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: .
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0015306472778320312
-solve_kpoint (0,0,0):
-freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8
-Solving for bands 3 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 10.77194213866493 (192.122% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 3.0754972925257 (111.161% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.71668476265345 (56.7096% change)
- linmin: converged after 7 iterations.
- iteration 4: trace = 1.227420708969451 (33.2369% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 1.060832724595333 (14.5603% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 0.959975852113978 (9.98183% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 0.909240400209034 (5.42853% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.8807679450969029 (3.18127% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.8627797420484471 (2.0634% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.8516588552680404 (1.29732% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.8438574996288519 (0.920234% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.8394516798595164 (0.523471% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.836629069249995 (0.336811% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.8347678523808513 (0.222714% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.8337466495477653 (0.122409% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.8330292235347097 (0.0860855% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 0.8325947181531635 (0.0521733% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.8323092192026496 (0.0342961% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 0.8321766146416989 (0.0159334% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 0.8321119589360675 (0.00776977% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 0.8320745163302404 (0.00449981% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 0.832051317003098 (0.00278817% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 0.8320378597035315 (0.00161738% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 0.8320296693273964 (0.00098438% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.8320254490100094 (0.000507233% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 0.8320231011390418 (0.000282188% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.8320218176827396 (0.000154257% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 0.8320210651241119 (9.04494e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 0.8320205764596325 (5.87322e-05% change)
- linmin: converged after 19 iterations.
- iteration 30: trace = 0.8320203215435755 (3.06382e-05% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 0.8320202068470011 (1.37853e-05% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 0.8320201439100389 (7.56436e-06% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 0.8320201056776415 (4.59513e-06% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 0.8320200829980432 (2.72585e-06% change)
- linmin: converged after 5 iterations.
- iteration 35: trace = 0.8320200693466452 (1.64075e-06% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 0.8320200636019381 (6.90453e-07% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 0.8320200604494776 (3.78892e-07% change)
- linmin: converged after 6 iterations.
- iteration 38: trace = 0.8320200588885164 (1.87611e-07% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 0.8320200580360128 (1.02462e-07% change)
- linmin: converged after 19 iterations.
- iteration 40: trace = 0.8320200576147273 (5.0634e-08% change)
- linmin: converged after 2 iterations.
- iteration 41: trace = 0.8320200574061474 (2.50691e-08% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 0.8320200572926048 (1.36466e-08% change)
- linmin: converged after 9 iterations.
- iteration 43: trace = 0.8320200572315926 (7.33302e-09% change)
- linmin: converged after 2 iterations.
- iteration 44: trace = 0.832020057198161 (4.01812e-09% change)
- linmin: converged after 5 iterations.
- iteration 45: trace = 0.8320200571762048 (2.6389e-09% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.8320200571626069 (1.63432e-09% change)
- linmin: converged after 2 iterations.
- iteration 47: trace = 0.8320200571545783 (9.6495e-10% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.832020057150025 (5.47252e-10% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 0.8320200571472434 (3.34327e-10% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 0.8320200571454062 (2.20812e-10% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 0.8320200571444556 (1.14249e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 0.8320200571439178 (6.46369e-11% change)
-Finished solving for bands 3 to 8 after 52 iterations.
-freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833
-elapsed time for k point: 0.12083768844604492
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 0.8411857073604645 (1.48851% change)
- linmin: converged after 8 iterations.
- iteration 2: trace = 0.8364158268943164 (0.568655% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.8353099576195202 (0.132303% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.8342493413734591 (0.127053% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.8327506867263736 (0.179803% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 0.8318022392492346 (0.113958% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.8313248193318883 (0.0574123% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.8309940498477346 (0.0397962% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.8307771087497984 (0.0261096% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.8306786823965296 (0.0118482% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.830620418876548 (0.00701421% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 0.8305831498030515 (0.004487% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.8305591613818109 (0.00288818% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.8305450047313113 (0.00170449% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 0.8305386872319382 (0.000760648% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.8305355879462613 (0.000373166% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 0.8305341210791168 (0.000176617% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 0.8305331675841161 (0.000114805% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.8305325811294096 (7.06119e-05% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 0.8305322746123353 (3.69061e-05% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 0.8305320916748304 (2.20265e-05% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.8305320019893665 (1.07986e-05% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 0.8305319557056104 (5.57278e-06% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 0.8305319292924483 (3.18027e-06% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 0.8305319161092475 (1.58732e-06% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.8305319042197319 (1.43155e-06% change)
- linmin: converged after 21 iterations.
- iteration 27: trace = 0.8305318965921982 (9.18391e-07% change)
- linmin: converged after 10 iterations.
- iteration 28: trace = 0.8305318905535406 (7.27083e-07% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 0.8305318875553995 (3.6099e-07% change)
- linmin: converged after 16 iterations.
- iteration 30: trace = 0.8305318858786155 (2.01893e-07% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 0.8305318849630696 (1.10236e-07% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 0.8305318845533121 (4.93368e-08% change)
- linmin: converged after 12 iterations.
- iteration 33: trace = 0.830531884211193 (4.11928e-08% change)
- linmin: converged after 15 iterations.
- iteration 34: trace = 0.8305318840358398 (2.11134e-08% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 0.8305318839403582 (1.14964e-08% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 0.8305318839001288 (4.84381e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.830531883874691 (3.06283e-09% change)
- linmin: converged after 24 iterations.
- iteration 38: trace = 0.8305318838577096 (2.04464e-09% change)
- linmin: converged after 18 iterations.
- iteration 39: trace = 0.8305318838472706 (1.2569e-09% change)
- linmin: converged after 23 iterations.
- iteration 40: trace = 0.8305318838419788 (6.37154e-10% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 0.8305318838394073 (3.09621e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.8305318838374599 (2.34481e-10% change)
- linmin: converged after 19 iterations.
- iteration 43: trace = 0.8305318838359887 (1.77134e-10% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.8305318838350271 (1.1579e-10% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.8305318838345979 (5.16792e-11% change)
-Finished solving for bands 1 to 8 after 45 iterations.
-freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396
-elapsed time for k point: 0.15617609024047852
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.836315860096732 (1.66557% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.8340975083083036 (0.265605% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.8332458664916265 (0.102156% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.8322497918498211 (0.119613% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 0.8311832900375034 (0.128229% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.8306432394277228 (0.0649948% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.8303416617015291 (0.0363131% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.8301707132794689 (0.0205898% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.830078155996353 (0.0111498% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.8300183450119853 (0.00720572% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.8299838209971111 (0.00415951% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.8299580236592101 (0.00310822% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 0.8299441420167275 (0.00167259% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 0.8299355104420545 (0.00104002% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.8299314094940895 (0.00049413% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.8299288478334526 (0.00030866% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 0.8299269859865059 (0.000224338% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 0.8299257864059029 (0.000144541% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 0.8299250658247074 (8.68248e-05% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 0.8299246454651557 (5.06503e-05% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 0.8299243778997404 (3.22397e-05% change)
- linmin: converged after 7 iterations.
- iteration 22: trace = 0.8299242050799038 (2.08236e-05% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 0.8299241006170228 (1.2587e-05% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 0.8299240288709508 (8.6449e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 0.8299239857346447 (5.19762e-06% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.8299239648673498 (2.51436e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 0.8299239559095053 (1.07936e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 0.8299239507817767 (6.17855e-07% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 0.829923948679026 (2.53367e-07% change)
- linmin: converged after 16 iterations.
- iteration 30: trace = 0.8299239474471369 (1.48434e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 0.8299239467745021 (8.10478e-08% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 0.8299239462912059 (5.82338e-08% change)
- linmin: converged after 7 iterations.
- iteration 33: trace = 0.8299239460822325 (2.51798e-08% change)
- linmin: converged after 24 iterations.
- iteration 34: trace = 0.829923945946898 (1.63069e-08% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.8299239458765898 (8.47164e-09% change)
- linmin: converged after 10 iterations.
- iteration 36: trace = 0.8299239458198523 (6.83647e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.8299239457895662 (3.64926e-09% change)
- linmin: converged after 22 iterations.
- iteration 38: trace = 0.8299239457730856 (1.9858e-09% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.8299239457622447 (1.30625e-09% change)
- linmin: converged after 23 iterations.
- iteration 40: trace = 0.8299239457533909 (1.06682e-09% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 0.8299239457488158 (5.5127e-10% change)
- linmin: converged after 16 iterations.
- iteration 42: trace = 0.8299239457466069 (2.66157e-10% change)
- linmin: converged after 2 iterations.
- iteration 43: trace = 0.829923945745775 (1.00237e-10% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.8299239457452547 (6.26865e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164
-elapsed time for k point: 0.15265417098999023
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 10 iterations.
- iteration 1: trace = 0.8384579710388014 (1.6581% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 0.8362067464145161 (0.268857% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.834959121441012 (0.149312% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.8329527435092523 (0.240586% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 0.8312082200197433 (0.209658% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.8301835396589363 (0.123352% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.8295953310521766 (0.0708779% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.8291618777609253 (0.0522624% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.8288536352392206 (0.0371821% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.8286314540975082 (0.0268094% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.8284802607009891 (0.0182478% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 0.828394573579545 (0.0103432% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 0.8283427444947822 (0.00625677% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.8283194330460465 (0.00281427% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 0.8283033017531329 (0.00194749% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.8282937079890141 (0.00115825% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 0.8282878480627425 (0.000707472% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.8282850045906595 (0.000343296% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.8282833184112278 (0.000203575% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 0.8282822463842839 (0.000129428% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 0.828281645933129 (7.24936e-05% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.8282813061972929 (4.1017e-05% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 0.8282810615722307 (2.95341e-05% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 0.8282809635218542 (1.18378e-05% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 0.8282809080507751 (6.69713e-06% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 0.8282808797258102 (3.41973e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 0.8282808634907819 (1.96009e-06% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 0.8282808551640518 (1.0053e-06% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 0.8282808490579532 (7.37201e-07% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 0.8282808456817429 (4.07617e-07% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 0.8282808435851823 (2.53122e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 0.8282808424976488 (1.313e-07% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 0.8282808418243391 (8.129e-08% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.8282808413684856 (5.50361e-08% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.8282808411400967 (2.75738e-08% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 0.8282808410003623 (1.68704e-08% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.8282808409003344 (1.20766e-08% change)
- linmin: converged after 27 iterations.
- iteration 38: trace = 0.8282808408204201 (9.64821e-09% change)
- linmin: converged after 7 iterations.
- iteration 39: trace = 0.8282808407815183 (4.69669e-09% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 0.8282808407436563 (4.57116e-09% change)
- linmin: converged after 25 iterations.
- iteration 41: trace = 0.8282808407148372 (3.47938e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 0.8282808406920066 (2.75639e-09% change)
- linmin: converged after 2 iterations.
- iteration 43: trace = 0.8282808406803972 (1.40162e-09% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.8282808406737886 (7.9787e-10% change)
- linmin: converged after 10 iterations.
- iteration 45: trace = 0.8282808406704848 (3.98875e-10% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.8282808406687536 (2.09008e-10% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 0.8282808406678077 (1.14202e-10% change)
- linmin: converged after 7 iterations.
- iteration 48: trace = 0.828280840667425 (4.62034e-11% change)
-Finished solving for bands 1 to 8 after 48 iterations.
-freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837
-elapsed time for k point: 0.16593360900878906
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.8297766891059705 (1.76584% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.827126168465749 (0.319937% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.8255817084558966 (0.186901% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.8228149488845111 (0.335691% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.8213029828484377 (0.183924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.8204117591652833 (0.108572% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.820078298876689 (0.0406537% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.8198547383796821 (0.0272646% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.8197334194501104 (0.0147987% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.8196549411872421 (0.00957409% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.8196169098404152 (0.00464003% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.8195957363298469 (0.00258338% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.8195850475611317 (0.00130416% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.8195801359377121 (0.000599284% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.8195775858623278 (0.000311145% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.8195759931744636 (0.000194331% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 0.8195753474397359 (7.87889e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 0.8195750259742762 (3.92234e-05% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 0.8195748466735 (2.18773e-05% change)
- linmin: converged after 9 iterations.
- iteration 20: trace = 0.8195747606874673 (1.04915e-05% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 0.8195747077048916 (6.46464e-06% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 0.8195746734680514 (4.17739e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 0.8195746498620211 (2.88028e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 0.8195746392254357 (1.29782e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 0.819574632834841 (7.79745e-07% change)
- linmin: converged after 13 iterations.
- iteration 26: trace = 0.8195746295494708 (4.00863e-07% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 0.819574628150171 (1.70735e-07% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 0.8195746272400561 (1.11047e-07% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.8195746268100966 (5.24613e-08% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.8195746265188533 (3.55359e-08% change)
- linmin: converged after 27 iterations.
- iteration 31: trace = 0.8195746264084736 (1.34679e-08% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 0.8195746263156771 (1.13225e-08% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 0.8195746262714612 (5.39499e-09% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.8195746262510966 (2.48478e-09% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.8195746262406717 (1.27199e-09% change)
- linmin: converged after 15 iterations.
- iteration 36: trace = 0.8195746262340665 (8.05925e-10% change)
- linmin: converged after 2 iterations.
- iteration 37: trace = 0.8195746262311596 (3.54684e-10% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 0.8195746262301503 (1.2315e-10% change)
- linmin: converged after 11 iterations.
- iteration 39: trace = 0.8195746262296728 (5.82628e-11% change)
-Finished solving for bands 1 to 8 after 39 iterations.
-freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603
-elapsed time for k point: 0.1355743408203125
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.8202060387200576 (1.70382% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 0.8182750241160189 (0.235708% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.817535559432626 (0.0904096% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.8164009027530945 (0.138886% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.8158262222327872 (0.0704167% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.8155045628218415 (0.0394352% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.8153935931190388 (0.0136084% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.8153330404418098 (0.00742647% change)
- linmin: converged after 7 iterations.
- iteration 9: trace = 0.8153020394554229 (0.00380232% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.815283053454816 (0.00232873% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.8152730327975205 (0.00122911% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.815266489638716 (0.000802576% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 0.8152634044378041 (0.000378429% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 0.8152616169738826 (0.00021925% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.8152605303295448 (0.000133288% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.8152599189119256 (7.49966e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 0.8152596059346907 (3.83899e-05% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 0.8152594642120827 (1.73837e-05% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 0.8152593920835759 (8.84731e-06% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 0.8152593577039601 (4.21702e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 0.8152593354987897 (2.72369e-06% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 0.8152593247016575 (1.32438e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 0.8152593173087741 (9.06814e-07% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 0.8152593138254385 (4.27267e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 0.8152593120047846 (2.23322e-07% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 0.8152593112736239 (8.96844e-08% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 0.8152593110092122 (3.24328e-08% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 0.8152593108493351 (1.96106e-08% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.8152593107911446 (7.13768e-09% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.8152593107576598 (4.10725e-09% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 0.8152593107456172 (1.47715e-09% change)
- linmin: converged after 7 iterations.
- iteration 32: trace = 0.8152593107377903 (9.60044e-10% change)
- linmin: converged after 10 iterations.
- iteration 33: trace = 0.8152593107338376 (4.84843e-10% change)
- linmin: converged after 6 iterations.
- iteration 34: trace = 0.8152593107317028 (2.61861e-10% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 0.8152593107306813 (1.253e-10% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 0.8152593107299846 (8.54532e-11% change)
-Finished solving for bands 1 to 8 after 36 iterations.
-freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988
-elapsed time for k point: 0.12530755996704102
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 0.8213704099867726 (1.52178% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.8169092598691136 (0.544614% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.8151043146603212 (0.221192% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.8124543005631838 (0.325643% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.811240168559422 (0.149552% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.8106456426067773 (0.0733129% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.810403371041347 (0.0298907% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.8102812528478489 (0.01507% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.8102098418733521 (0.0088135% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.8101705321405788 (0.00485191% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.8101434675866164 (0.00334066% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.8101271596843558 (0.00201298% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.810119052953955 (0.00100068% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.8101141957189366 (0.000599572% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.8101112551273706 (0.000362985% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.8101100249752458 (0.00015185% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 0.8101093505151843 (8.32554e-05% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 0.8101090557261185 (3.63888e-05% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 0.8101089101963076 (1.79642e-05% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 0.8101088685543416 (5.14029e-06% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 0.8101088443461921 (2.98826e-06% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 0.8101088339233451 (1.2866e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 0.8101088287653663 (6.36702e-07% change)
- linmin: converged after 17 iterations.
- iteration 24: trace = 0.8101088257061436 (3.77631e-07% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 0.8101088238653266 (2.27231e-07% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 0.810108822665528 (1.48103e-07% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 0.8101088219921038 (8.31276e-08% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 0.810108821643532 (4.30278e-08% change)
- linmin: converged after 29 iterations.
- iteration 29: trace = 0.8101088214253349 (2.69343e-08% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 0.8101088213419808 (1.02892e-08% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 0.8101088213102635 (3.91519e-09% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 0.8101088212925482 (2.18678e-09% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 0.8101088212829829 (1.18075e-09% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.8101088212792966 (4.55034e-10% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.8101088212770255 (2.80342e-10% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 0.810108821275652 (1.69554e-10% change)
- linmin: converged after 10 iterations.
- iteration 37: trace = 0.8101088212748289 (1.01606e-10% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.8101088212743903 (5.41332e-11% change)
-Finished solving for bands 1 to 8 after 38 iterations.
-freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445
-elapsed time for k point: 0.13184642791748047
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 0.809273371128195 (1.38558% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.8062984969773834 (0.368275% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.8053330558378826 (0.119809% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.80405922806096 (0.158299% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.8034666835426599 (0.0737213% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.8031100766844055 (0.0443934% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.8029749352577331 (0.0168287% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.8028924749265977 (0.0102699% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.8028467143041492 (0.00569963% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.8028180397698028 (0.00357167% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.8027995733460006 (0.00230023% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 0.8027906687323354 (0.0011092% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.8027867967539712 (0.000482316% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.8027849000552016 (0.000236265% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 0.8027839219051782 (0.000121845% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.8027834732207151 (5.58911e-05% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 0.8027832650213437 (2.59347e-05% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 0.8027831684655311 (1.20276e-05% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 0.8027831163738792 (6.48888e-06% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 0.8027830991936692 (2.14008e-06% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 0.8027830866479162 (1.56278e-06% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 0.8027830797597423 (8.58037e-07% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 0.8027830760515255 (4.6192e-07% change)
- linmin: converged after 9 iterations.
- iteration 24: trace = 0.8027830736191423 (3.02994e-07% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.8027830724307873 (1.48029e-07% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 0.8027830717575404 (8.38641e-08% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 0.8027830715079984 (3.10846e-08% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 0.8027830713939041 (1.42123e-08% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 0.8027830713270425 (8.32873e-09% change)
- linmin: converged after 14 iterations.
- iteration 30: trace = 0.8027830712989859 (3.49493e-09% change)
- linmin: converged after 7 iterations.
- iteration 31: trace = 0.8027830712879676 (1.37251e-09% change)
- linmin: converged after 16 iterations.
- iteration 32: trace = 0.8027830712796187 (1.03999e-09% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.8027830712735203 (7.5965e-10% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.8027830712713143 (2.74796e-10% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 0.8027830712698051 (1.88001e-10% change)
- linmin: converged after 15 iterations.
- iteration 36: trace = 0.802783071268766 (1.29432e-10% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.8027830712683004 (5.80017e-11% change)
-Finished solving for bands 1 to 8 after 37 iterations.
-freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089
-elapsed time for k point: 0.12822437286376953
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.8068179225889665 (1.29517% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 0.804832588193017 (0.246373% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.8042872136604009 (0.0677854% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.8036249724599602 (0.0823728% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.8032567356252627 (0.0458325% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.8029920196650826 (0.0329608% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.8028887415049023 (0.0128625% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.8028182815775591 (0.00877619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.8027780187785131 (0.00501531% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.8027521710407273 (0.00321984% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.8027359476526511 (0.00202099% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.802727982914457 (0.000992204% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 0.802723880114383 (0.000511108% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 0.8027211420985967 (0.000341091% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.8027191516384169 (0.000247964% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.8027176224959517 (0.000190496% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 0.8027166889701804 (0.000116296% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.8027162103596907 (5.96239e-05% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 0.8027159091591477 (3.75227e-05% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 0.8027158068781748 (1.27419e-05% change)
- linmin: converged after 10 iterations.
- iteration 21: trace = 0.8027157420448225 (8.07675e-06% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 0.802715709343627 (4.07382e-06% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 0.8027156963901343 (1.61371e-06% change)
- linmin: converged after 25 iterations.
- iteration 24: trace = 0.8027156897719367 (8.24476e-07% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 0.8027156870140796 (3.43566e-07% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 0.8027156854301956 (1.97316e-07% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 0.8027156847538376 (8.42587e-08% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 0.8027156842766868 (5.94421e-08% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.8027156840251561 (3.1335e-08% change)
- linmin: converged after 31 iterations.
- iteration 30: trace = 0.8027156839051044 (1.49557e-08% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.8027156838537041 (6.4033e-09% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 0.8027156838186872 (4.3623e-09% change)
- linmin: converged after 13 iterations.
- iteration 33: trace = 0.8027156837999538 (2.33375e-09% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.8027156837942571 (7.09688e-10% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.8027156837904597 (4.7307e-10% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 0.8027156837880036 (3.05966e-10% change)
- linmin: converged after 7 iterations.
- iteration 37: trace = 0.8027156837870213 (1.22375e-10% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.8027156837865843 (5.44382e-11% change)
-Finished solving for bands 1 to 8 after 38 iterations.
-freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458
-elapsed time for k point: 0.13206815719604492
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.8155294376424663 (1.37094% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 0.8138776522734583 (0.202747% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.8133742935541981 (0.0618661% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.8126556331426072 (0.0883945% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.8121871670633984 (0.0576629% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.8117923023583824 (0.0486293% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.8116108115438246 (0.0223593% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 0.8114739977375731 (0.0168585% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.8113791011440841 (0.011695% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.8113085750803738 (0.0086925% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 0.8112504355246271 (0.0071664% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.811211066717463 (0.00485297% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.8111826254010386 (0.00350609% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 0.8111593523668564 (0.00286907% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.8111444357100662 (0.00183895% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.811135444413941 (0.00110848% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 0.8111316026057794 (0.000473634% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 0.811130187145684 (0.000174505% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 0.8111293526274589 (0.000102883% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 0.8111290114631691 (4.20604e-05% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 0.8111287652725712 (3.03516e-05% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 0.8111286057812008 (1.96629e-05% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 0.8111285234429321 (1.01511e-05% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 0.8111284687546958 (6.74224e-06% change)
- linmin: converged after 12 iterations.
- iteration 25: trace = 0.8111284433478234 (3.13229e-06% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 0.8111284222032065 (2.60681e-06% change)
- linmin: converged after 7 iterations.
- iteration 27: trace = 0.8111284113560745 (1.33729e-06% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 0.8111284028317195 (1.05093e-06% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 0.8111283987915656 (4.98091e-07% change)
- linmin: converged after 9 iterations.
- iteration 30: trace = 0.8111283967889734 (2.4689e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 0.8111283955216915 (1.56237e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 0.8111283948185323 (8.6689e-08% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 0.8111283945321676 (3.53045e-08% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 0.8111283944066422 (1.54754e-08% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.8111283943165297 (1.11095e-08% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 0.8111283942752676 (5.087e-09% change)
- linmin: converged after 19 iterations.
- iteration 37: trace = 0.8111283942632421 (1.48256e-09% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.8111283942557568 (9.22831e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.8111283942508334 (6.06981e-10% change)
- linmin: converged after 9 iterations.
- iteration 40: trace = 0.8111283942481876 (3.26184e-10% change)
- linmin: converged after 16 iterations.
- iteration 41: trace = 0.81112839424681 (1.69833e-10% change)
- linmin: converged after 6 iterations.
- iteration 42: trace = 0.811128394246043 (9.45662e-11% change)
-Finished solving for bands 1 to 8 after 42 iterations.
-freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942
-elapsed time for k point: 0.14547204971313477
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.8290563269388784 (1.5156% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 0.8273550264785751 (0.20542% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.8266224782205577 (0.0885802% change)
- large trace change predicted (0.193434%)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.8250101629050859 (0.195239% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 0.8239463222377366 (0.129032% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.8228610425306505 (0.131804% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.8221978507147034 (0.0806283% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.8216235802290914 (0.0698702% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.8211054695681614 (0.0630793% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.8206083191293649 (0.0605648% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.8201236287664798 (0.0590822% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 0.8197787982981481 (0.042055% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 0.8195406353236169 (0.0290563% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 0.8193469211861539 (0.0236397% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 0.8192379771359951 (0.0132973% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.8191817953726388 (0.00685804% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 0.8191490570081135 (0.00399655% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 0.8191307360021227 (0.00223662% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 0.8191110855888374 (0.00239896% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 0.8190994002107381 (0.0014266% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 0.8190864754428578 (0.00157794% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 0.8190800027292462 (0.000790239% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 0.8190771103947635 (0.000353121% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 0.8190748139325353 (0.000280372% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 0.8190737905148722 (0.000124948% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 0.8190729885719623 (9.79086e-05% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.8190726416048181 (4.2361e-05% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 0.8190724446469992 (2.40464e-05% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 0.8190723634326225 (9.91541e-06% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.8190723223059518 (5.02113e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 0.819072293636266 (3.50026e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 0.8190722799506965 (1.67086e-06% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.8190722717209697 (1.00476e-06% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 0.8190722641678607 (9.22154e-07% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 0.8190722569175918 (8.85181e-07% change)
- linmin: converged after 20 iterations.
- iteration 36: trace = 0.819072252398658 (5.51714e-07% change)
- linmin: converged after 18 iterations.
- iteration 37: trace = 0.8190722470126064 (6.5758e-07% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.8190722404773362 (7.97887e-07% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 0.8190722358112694 (5.69677e-07% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 0.8190722327134291 (3.78213e-07% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 0.8190722304560935 (2.75597e-07% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.8190722291582522 (1.58453e-07% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 0.8190722281638675 (1.21404e-07% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.8190722275599085 (7.3737e-08% change)
- linmin: converged after 2 iterations.
- iteration 45: trace = 0.8190722273229317 (2.89323e-08% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.8190722271693935 (1.87454e-08% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 0.8190722271071573 (7.59838e-09% change)
- linmin: converged after 10 iterations.
- iteration 48: trace = 0.8190722270707893 (4.44015e-09% change)
- linmin: converged after 14 iterations.
- iteration 49: trace = 0.8190722270585126 (1.49886e-09% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 0.8190722270528337 (6.93333e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 0.8190722270495949 (3.95416e-10% change)
- linmin: converged after 2 iterations.
- iteration 52: trace = 0.8190722270481852 (1.72117e-10% change)
- linmin: converged after 2 iterations.
- iteration 53: trace = 0.8190722270474002 (9.58313e-11% change)
-Finished solving for bands 1 to 8 after 53 iterations.
-freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307
-elapsed time for k point: 0.1822059154510498
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.8318723245698361 (3.13082% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.8276838458231727 (0.504771% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.8250719751639439 (0.316062% change)
- large trace change predicted (0.829962%)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.8181500821756009 (0.842478% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 0.8146308841822318 (0.431068% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.8121449348964213 (0.305629% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.8110067055704764 (0.140249% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.8102662668394681 (0.0913404% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.8097637147394906 (0.0620423% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.8094608758573285 (0.0374054% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.8092619572238918 (0.0245772% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 0.8091489869963024 (0.0139606% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.8090914838523688 (0.00710687% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.8090524495611096 (0.00482458% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.8090299048314704 (0.0027866% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.8090196961708989 (0.00126185% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 0.8090149532580024 (0.000586256% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 0.8090133783585416 (0.000194669% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 0.8090122091828419 (0.000144519% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 0.809011746549078 (5.7185e-05% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 0.8090114311733304 (3.89828e-05% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 0.8090112622133518 (2.08847e-05% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 0.8090112032213227 (7.29187e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 0.8090111645767121 (4.77677e-06% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 0.8090111496273182 (1.84786e-06% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.8090111376871478 (1.4759e-06% change)
- linmin: converged after 10 iterations.
- iteration 27: trace = 0.8090111299481263 (9.56603e-07% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 0.8090111234591612 (8.02086e-07% change)
- linmin: converged after 17 iterations.
- iteration 29: trace = 0.8090111190077983 (5.50223e-07% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 0.8090111160067402 (3.70954e-07% change)
- linmin: converged after 11 iterations.
- iteration 31: trace = 0.8090111140715618 (2.39203e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 0.809011112840562 (1.52161e-07% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 0.8090111123538603 (6.01601e-08% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 0.8090111120761603 (3.43259e-08% change)
- linmin: converged after 25 iterations.
- iteration 35: trace = 0.809011111827572 (3.07274e-08% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 0.8090111117288276 (1.22056e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 0.8090111116923977 (4.50301e-09% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 0.8090111116668663 (3.15587e-09% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 0.8090111116513794 (1.91431e-09% change)
- linmin: converged after 6 iterations.
- iteration 40: trace = 0.8090111116440928 (9.00682e-10% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 0.8090111116401751 (4.84251e-10% change)
- linmin: converged after 8 iterations.
- iteration 42: trace = 0.8090111116384469 (2.13629e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.8090111116376205 (1.02142e-10% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.8090111116370096 (7.55188e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272
-elapsed time for k point: 0.1522667407989502
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.8171851170997577 (2.82615% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.813918027365284 (0.400599% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.8130234308008992 (0.109973% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.811581624060812 (0.177496% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.8108367043900603 (0.0918283% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.8104212308344327 (0.0512532% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.8102651075147203 (0.0192663% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.8101854245831392 (0.00983466% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.8101424830515994 (0.00530035% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.810120944553498 (0.00265864% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.8101107143717293 (0.0012628% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 0.8101053670865769 (0.000660071% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 0.8101033097483941 (0.00025396% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 0.8101024191779366 (0.000109933% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 0.8101019341435778 (5.98732e-05% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.8101016896360236 (3.01823e-05% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 0.8101015590582973 (1.61187e-05% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.8101015104593604 (5.99912e-06% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 0.8101014866005619 (2.94516e-06% change)
- linmin: converged after 8 iterations.
- iteration 20: trace = 0.8101014766732865 (1.22544e-06% change)
- linmin: converged after 24 iterations.
- iteration 21: trace = 0.8101014719162717 (5.87212e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 0.8101014694525338 (3.04127e-07% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 0.8101014680412485 (1.74211e-07% change)
- linmin: converged after 8 iterations.
- iteration 24: trace = 0.8101014671897425 (1.05111e-07% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.8101014666458735 (6.71359e-08% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 0.810101466366896 (3.44374e-08% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 0.8101014662654042 (1.25283e-08% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 0.8101014662094285 (6.90972e-09% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 0.8101014661850829 (3.00524e-09% change)
- linmin: converged after 16 iterations.
- iteration 30: trace = 0.8101014661721252 (1.59952e-09% change)
- linmin: converged after 7 iterations.
- iteration 31: trace = 0.8101014661683199 (4.6973e-10% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 0.8101014661663739 (2.40217e-10% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 0.8101014661650519 (1.63196e-10% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.8101014661646312 (5.19273e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281
-elapsed time for k point: 0.1180715560913086
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.8384802898748622 (2.88371% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.8342584911066918 (0.504777% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.8324378232300615 (0.218476% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.8292138799100831 (0.388041% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.827322253232385 (0.228383% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.8262867608253194 (0.12524% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.8257462495266317 (0.0654359% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.8254198265357116 (0.0395385% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.8251898663616859 (0.0278637% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.8250606384828725 (0.0156616% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.8249885908464112 (0.00873279% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 0.8249476216823384 (0.00496615% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.824928537065068 (0.00231346% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.8249170794087202 (0.00138894% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 0.8249097450566565 (0.000889106% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.8249057647163063 (0.000482519% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 0.8249036821750686 (0.000252458% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 0.8249026994258288 (0.000119135% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 0.8249021282724944 (6.92389e-05% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 0.8249018605074976 (3.24602e-05% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 0.8249016803447531 (2.18405e-05% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 0.8249015845869494 (1.16084e-05% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 0.8249015344706885 (6.07542e-06% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 0.8249015089280831 (3.09644e-06% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 0.8249014948902105 (1.70176e-06% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.8249014886144899 (7.60784e-07% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 0.82490148538737 (3.91213e-07% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 0.8249014836509996 (2.10494e-07% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 0.8249014827636327 (1.07572e-07% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.824901482377576 (4.68003e-08% change)
- linmin: converged after 26 iterations.
- iteration 31: trace = 0.8249014822007916 (2.1431e-08% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 0.8249014820905052 (1.33697e-08% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 0.8249014820217433 (8.33577e-09% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 0.8249014819930203 (3.48199e-09% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 0.8249014819693666 (2.86745e-09% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 0.824901481953957 (1.86806e-09% change)
- linmin: converged after 22 iterations.
- iteration 37: trace = 0.8249014819460342 (9.60451e-10% change)
- linmin: converged after 16 iterations.
- iteration 38: trace = 0.8249014819420621 (4.81517e-10% change)
- linmin: converged after 13 iterations.
- iteration 39: trace = 0.8249014819395273 (3.07293e-10% change)
- linmin: converged after 18 iterations.
- iteration 40: trace = 0.8249014819380525 (1.78787e-10% change)
- linmin: converged after 16 iterations.
- iteration 41: trace = 0.8249014819373073 (9.03358e-11% change)
-Finished solving for bands 1 to 8 after 41 iterations.
-freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434
-elapsed time for k point: 0.14223742485046387
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.8480483504579561 (3.58198% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 0.8430089126034128 (0.59601% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.8384490944510825 (0.542365% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.833504242190635 (0.591506% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 0.8312006937664944 (0.276752% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.8303345713220793 (0.104256% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.8298720782409875 (0.0557151% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.8296438183420806 (0.0275092% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.8295035920716755 (0.0169034% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.8294292605779823 (0.00896136% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 0.8293938184228468 (0.00427317% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 0.829375645803089 (0.0021911% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.8293681148786946 (0.000908027% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 0.8293644321962761 (0.000444036% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 0.8293622462035651 (0.000263575% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.8293611088425483 (0.000137137% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 0.8293605063723064 (7.26427e-05% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 0.8293602062722002 (3.61845e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.8293600606222393 (1.75617e-05% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 0.8293599788560098 (9.85895e-06% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 0.8293599294100369 (5.96194e-06% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.8293598981795791 (3.76561e-06% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 0.829359881782837 (1.97704e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 0.8293598714059198 (1.2512e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 0.8293598655872598 (7.01584e-07% change)
- linmin: converged after 12 iterations.
- iteration 26: trace = 0.8293598628133533 (3.34464e-07% change)
- linmin: converged after 21 iterations.
- iteration 27: trace = 0.8293598612781719 (1.85104e-07% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 0.8293598604061101 (1.05149e-07% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.8293598600266698 (4.5751e-08% change)
- linmin: converged after 22 iterations.
- iteration 30: trace = 0.8293598598808711 (1.75797e-08% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.829359859814782 (7.96869e-09% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 0.8293598597813747 (4.02808e-09% change)
- linmin: converged after 11 iterations.
- iteration 33: trace = 0.8293598597669902 (1.73441e-09% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 0.8293598597619849 (6.03517e-10% change)
- linmin: converged after 16 iterations.
- iteration 35: trace = 0.8293598597589518 (3.65719e-10% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.829359859757155 (2.16647e-10% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.8293598597560852 (1.28992e-10% change)
- linmin: converged after 20 iterations.
- iteration 38: trace = 0.8293598597555056 (6.98776e-11% change)
-Finished solving for bands 1 to 8 after 38 iterations.
-freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139
-elapsed time for k point: 0.13187575340270996
-solve_kpoint (0,0,0):
-Solving for bands 3 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.8480940244309446 (1.69227% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.8419235022329321 (0.730232% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.8394087479197274 (0.299138% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.836466267239855 (0.351158% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.834672354538319 (0.214693% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.8334606568479985 (0.145276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.8328462065781603 (0.07375% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.8325101793123081 (0.040355% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.8322457691396173 (0.0317656% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.8321412516982053 (0.0125593% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.8320852115237597 (0.00673468% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.8320477512855995 (0.00450207% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.8320325851853662 (0.00182276% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.8320268694258969 (0.000686966% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.8320236470047006 (0.000387298% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.832022038583722 (0.000193315% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 0.8320210664606004 (0.000116839% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 0.8320206058344797 (5.53623e-05% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 0.8320203906623702 (2.58614e-05% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 0.8320202605730955 (1.56353e-05% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 0.8320201840423708 (9.19818e-06% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 0.83202013794228 (5.54074e-06% change)
- linmin: converged after 7 iterations.
- iteration 23: trace = 0.8320200998172953 (4.58222e-06% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 0.8320200739733764 (3.10617e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 0.8320200654921726 (1.01935e-06% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 0.8320200619872656 (4.21253e-07% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 0.8320200597339977 (2.70819e-07% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 0.832020058365486 (1.64481e-07% change)
- linmin: converged after 19 iterations.
- iteration 29: trace = 0.8320200576761879 (8.28463e-08% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 0.8320200574763272 (2.40211e-08% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 0.8320200573161726 (1.92489e-08% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 0.8320200572338544 (9.89377e-09% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 0.832020057197676 (4.34826e-09% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.8320200571735461 (2.90016e-09% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 0.8320200571592896 (1.71348e-09% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 0.8320200571525682 (8.07841e-10% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 0.8320200571484559 (4.94251e-10% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.8320200571461505 (2.77095e-10% change)
- linmin: converged after 5 iterations.
- iteration 39: trace = 0.8320200571449834 (1.40269e-10% change)
- linmin: converged after 2 iterations.
- iteration 40: trace = 0.8320200571443123 (8.06627e-11% change)
-Finished solving for bands 3 to 8 after 40 iterations.
-freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833
-..elapsed time for k point: 0.09259605407714844
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024688 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414672 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.21696776954474586 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855384 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.3008564830839497 at Vector3<0.5, 0.0, 0.0> to 0.3651152537651722 at Vector3<0.0, 0.0, 0.0>
-Band 5 range: 0.30714983400393553 at Vector3<0.5, 0.5, 0.0> to 0.38531636177147244 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
-Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259549 at Vector3<0.5, 0.1, 0.0>
-Band 7 range: 0.34953853766123844 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230428 at Vector3<0.4, 0.0, 0.0>
-Band 8 range: 0.39613882331011085 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.477306572259159 at Vector3<0.5, 0.5, 0.0>
-total elapsed time for run: 2.2162203788757324
-done
-/tmp/meepg15Lzl/test_anisotropic_2d_gap-0: 2.22s
-
-/tmp/meepg15Lzl/test_attribute_accessors-0
-========================
-/tmp/meepg15Lzl/test_attribute_accessors-0: 0.00s
-
-/tmp/meepg15Lzl/test_bragg-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 1 dimensions.
-Grid size is 32 x 1 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 1e+20, height 0.25, axis (1, 0, 0)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.0, 0.0>
-elapsed time for initialization: 0.00018525123596191406
-solve_kpoint (0.5,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
-Solving for bands 1 to 8...
- near maximum in trace
- linmin: converged after 20 iterations.
- iteration 1: trace = 27.80144625027669 (180.5% change)
- linmin: converged after 8 iterations.
- iteration 2: trace = 19.82418800010011 (33.4999% change)
- linmin: converged after 7 iterations.
- iteration 3: trace = 18.80241114661619 (5.29053% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 18.64391851982911 (0.846506% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 18.63017324216899 (0.0737524% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 18.62916003541502 (0.00543867% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 18.62909545680369 (0.000346654% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 18.62908848466774 (3.74261e-05% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 18.62908777894175 (3.7883e-06% change)
- linmin: converged after 16 iterations.
- switching to approximate line minimization (decrease time by 62.0253%)
- iteration 10: trace = 18.6290877002945 (4.22174e-07% change)
- iteration 11: trace = 18.62908769515245 (2.76022e-08% change)
- iteration 12: trace = 18.6290876948879 (1.42013e-09% change)
- iteration 13: trace = 18.62908769487537 (6.72627e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631
-elapsed time for k point: 0.0018389225006103516
-total elapsed time for run: 0.0021016597747802734
-done
-Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664
-.Outputting fields to /tmp/meepg15Lzl/test_bragg-0-h.k01.b08.y.tm.h5...
-/tmp/meepg15Lzl/test_bragg-0: 0.01s
-
-/tmp/meepg15Lzl/test_bragg_sine-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 1 dimensions.
-Grid size is 32 x 1 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
-Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-11 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.05, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.15000000000000002, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.25, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.35000000000000003, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.45, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
-elapsed time for initialization: 0.0033402442932128906
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 19 iterations.
- iteration 1: trace = 17.30275056401984 (175.314% change)
- linmin: converged after 8 iterations.
- iteration 2: trace = 11.9760373863671 (36.3862% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 11.17691626013078 (6.90297% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 11.08896486917231 (0.79001% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 11.08297661618686 (0.0540165% change)
- linmin: converged after 8 iterations.
- iteration 6: trace = 11.08249596622674 (0.00433692% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 11.08219937792676 (0.00267622% change)
- large trace change predicted (0.0167811%)
- linmin: converged after 6 iterations.
- iteration 8: trace = 11.08038974001353 (0.0163306% change)
- large trace change predicted (0.0812502%)
- linmin: converged after 8 iterations.
- iteration 9: trace = 11.07305304217878 (0.0662353% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 11.07180721242442 (0.0112516% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 11.07168890779527 (0.00106853% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 11.07167968197878 (8.3328e-05% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 11.07167908240041 (5.41542e-06% change)
- linmin: converged after 10 iterations.
- switching to approximate line minimization (decrease time by 52.5253%)
- iteration 14: trace = 11.07167889420393 (1.6998e-06% change)
- iteration 15: trace = 11.0716779976237 (8.09796e-06% change)
- iteration 16: trace = 11.07167518719081 (2.5384e-05% change)
- iteration 17: trace = 11.07167456093305 (5.6564e-06% change)
- iteration 18: trace = 11.07167451845902 (3.83628e-07% change)
- iteration 19: trace = 11.0716745146709 (3.42145e-08% change)
- iteration 20: trace = 11.07167451443016 (2.17438e-09% change)
- iteration 21: trace = 11.0716745143937 (3.29274e-10% change)
- iteration 22: trace = 11.07167451429858 (8.59181e-10% change)
- iteration 23: trace = 11.07167451395079 (3.14127e-09% change)
- iteration 24: trace = 11.07167451360991 (3.07881e-09% change)
- switching back to exact line minimization
- iteration 25: trace = 11.07167451351465 (8.60384e-10% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 11.07167451350535 (8.40072e-11% change)
-Finished solving for bands 2 to 8 after 26 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991
-elapsed time for k point: 0.0025343894958496094
-solve_kpoint (0.05,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 9 iterations.
- iteration 1: trace = 11.04205588758829 (0.320414% change)
- linmin: converged after 10 iterations.
- switching to approximate line minimization (decrease time by 52.7132%)
- iteration 2: trace = 11.02779351693405 (0.129248% change)
- iteration 3: trace = 11.02770474366341 (0.000804999% change)
- switching back to exact line minimization
- large trace change predicted (0.093298%)
- linmin: converged after 10 iterations.
- iteration 4: trace = 11.01806738545238 (0.0874304% change)
- linmin: converged after 9 iterations.
- iteration 5: trace = 11.01664396786117 (0.0129198% change)
- linmin: converged after 8 iterations.
- iteration 6: trace = 11.01540335896411 (0.0112619% change)
- linmin: converged after 8 iterations.
- iteration 7: trace = 11.01433910068472 (0.00966201% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 11.01352648290623 (0.00737809% change)
- linmin: converged after 7 iterations.
- iteration 9: trace = 11.01297351714789 (0.00502091% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 11.01260350905 (0.0033598% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 11.01234584415078 (0.00233975% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 11.01215720223526 (0.00171302% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 11.0120125477847 (0.0013136% change)
- linmin: converged after 9 iterations.
- iteration 14: trace = 11.01189704577475 (0.00104888% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 11.01180148311995 (0.000867817% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 11.01171986121965 (0.000741225% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 11.01164809239446 (0.000651752% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 11.01158325938094 (0.000588769% change)
- linmin: converged after 7 iterations.
- iteration 19: trace = 11.01152317736246 (0.000545627% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 11.0114661225731 (0.000518138% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 11.01141065778754 (0.000503702% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 11.0113555150534 (0.000500779% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 11.01129951413431 (0.000508576% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 11.01124150482776 (0.000526818% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 11.01118032649513 (0.0005556% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 11.0111147821799 (0.000595254% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 11.01104362807418 (0.000646205% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 11.01096557610258 (0.000708854% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 11.01087931625818 (0.000783403% change)
- linmin: converged after 9 iterations.
- iteration 30: trace = 11.01078354941637 (0.000869751% change)
- linmin: converged after 6 iterations.
- iteration 31: trace = 11.01067703785136 (0.000967343% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 11.01055866131577 (0.00107511% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 11.01042747679191 (0.00119145% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 11.01028276754083 (0.0013143% change)
- linmin: converged after 7 iterations.
- iteration 35: trace = 11.0101241214797 (0.0014409% change)
- linmin: converged after 7 iterations.
- iteration 36: trace = 11.00995149577735 (0.00156789% change)
- linmin: converged after 7 iterations.
- iteration 37: trace = 11.009765237117 (0.00169174% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 11.00956622262666 (0.00180763% change)
- linmin: converged after 9 iterations.
- iteration 39: trace = 11.00935586189142 (0.00191073% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 11.00913635928313 (0.0019938% change)
- linmin: converged after 5 iterations.
- iteration 41: trace = 11.00891043783609 (0.00205215% change)
- linmin: converged after 6 iterations.
- iteration 42: trace = 11.00868136111914 (0.00208085% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 11.00845253219959 (0.00207864% change)
- linmin: converged after 6 iterations.
- iteration 44: trace = 11.00822712947615 (0.00204756% change)
- linmin: converged after 5 iterations.
- iteration 45: trace = 11.008007763255 (0.00199277% change)
- linmin: converged after 5 iterations.
- iteration 46: trace = 11.0077962802063 (0.00192119% change)
- linmin: converged after 7 iterations.
- iteration 47: trace = 11.00759374623145 (0.00183993% change)
- linmin: converged after 5 iterations.
- iteration 48: trace = 11.00740060599619 (0.00175462% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 11.00721668584921 (0.00167089% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 11.00704163269096 (0.00159036% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 11.00687488295998 (0.00151495% change)
- linmin: converged after 7 iterations.
- iteration 52: trace = 11.006715831029 (0.00144503% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 11.00656381659426 (0.00138112% change)
- linmin: converged after 6 iterations.
- iteration 54: trace = 11.00641828211563 (0.00132226% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 11.00627872634951 (0.00126796% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 11.00614469158994 (0.00121781% change)
- linmin: converged after 5 iterations.
- iteration 57: trace = 11.00601580408301 (0.00117106% change)
- linmin: converged after 5 iterations.
- iteration 58: trace = 11.00589174455013 (0.0011272% change)
- linmin: converged after 7 iterations.
- iteration 59: trace = 11.00577226598542 (0.00108559% change)
- linmin: converged after 7 iterations.
- iteration 60: trace = 11.00565715829893 (0.00104589% change)
- linmin: converged after 6 iterations.
- iteration 61: trace = 11.00554624800089 (0.00100776% change)
- linmin: converged after 5 iterations.
- iteration 62: trace = 11.00543939299803 (0.000970924% change)
- linmin: converged after 5 iterations.
- iteration 63: trace = 11.00533645790233 (0.000935315% change)
- linmin: converged after 8 iterations.
- iteration 64: trace = 11.00523733320914 (0.000900701% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 11.00514191101923 (0.000867065% change)
- linmin: converged after 7 iterations.
- iteration 66: trace = 11.00505008860959 (0.000834363% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 11.0049617537458 (0.000802679% change)
- linmin: converged after 5 iterations.
- iteration 68: trace = 11.00487680058111 (0.000771956% change)
- linmin: converged after 5 iterations.
- iteration 69: trace = 11.00479511006621 (0.000742315% change)
- resetting CG direction...
- large trace change predicted (0.115538%)
- linmin: converged after 14 iterations.
- iteration 70: trace = 10.99202108089672 (0.116144% change)
- linmin: converged after 6 iterations.
- iteration 71: trace = 10.990622399 (0.0127253% change)
- linmin: converged after 5 iterations.
- iteration 72: trace = 10.98948432221789 (0.0103555% change)
- linmin: converged after 6 iterations.
- iteration 73: trace = 10.98818648093088 (0.0118105% change)
- linmin: converged after 5 iterations.
- iteration 74: trace = 10.98802559184759 (0.00146421% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 10.98801515656142 (9.49697e-05% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 10.9880141268966 (9.3708e-06% change)
- linmin: converged after 7 iterations.
- iteration 77: trace = 10.98801409633641 (2.78123e-07% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 10.98801409322607 (2.83067e-08% change)
- linmin: converged after 3 iterations.
- iteration 79: trace = 10.98801409322026 (5.29123e-11% change)
-Finished solving for bands 1 to 8 after 79 iterations.
-tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778
-elapsed time for k point: 0.009987592697143555
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 10.90376002011797 (0.0079334% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 10.9035980456869 (0.0014855% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 10.90350953671486 (0.000811744% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 10.90345230243287 (0.000524918% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 10.90344655289584 (5.27314e-05% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 10.90344608445392 (4.29627e-06% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 10.9034460487153 (3.27774e-07% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 10.90344604735269 (1.24971e-08% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 10.90344604730559 (4.31926e-10% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 10.90344604730441 (1.08666e-11% change)
-Finished solving for bands 1 to 8 after 10 iterations.
-tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293
-elapsed time for k point: 0.001211404800415039
-solve_kpoint (0.15,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 10.82874318748971 (0.00713648% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 10.82865179051795 (0.000844026% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 10.8286391456565 (0.000116772% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 10.82863201430725 (6.58564e-05% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 10.82863047384796 (1.42258e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 10.82863033630219 (1.2702e-06% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 10.82863032427763 (1.11044e-07% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 10.82863032376797 (4.7066e-09% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 10.8286303237533 (1.35483e-10% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 10.82863032375297 (3.05119e-12% change)
-Finished solving for bands 1 to 8 after 10 iterations.
-tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803
-elapsed time for k point: 0.0012359619140625
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 10.76383414066022 (0.00702665% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 10.76375283235569 (0.000755387% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 10.76374658323256 (5.80571e-05% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 10.76374528581931 (1.20535e-05% change)
- linmin: converged after 31 iterations.
- switching to approximate line minimization (decrease time by 74.2489%)
- iteration 5: trace = 10.76374486740369 (3.88727e-06% change)
- iteration 6: trace = 10.76374482182859 (4.23413e-07% change)
- iteration 7: trace = 10.76374481723281 (4.26968e-08% change)
- iteration 8: trace = 10.76374481699878 (2.17427e-09% change)
- iteration 9: trace = 10.76374481699274 (5.60777e-11% change)
-Finished solving for bands 1 to 8 after 9 iterations.
-tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311
-elapsed time for k point: 0.001163482666015625
-solve_kpoint (0.25,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 10.70890918978242 (0.00701169% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 10.70883098425248 (0.000730287% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 10.70882611989436 (4.54238e-05% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 10.70882574797967 (3.47297e-06% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 10.70882564389909 (9.71914e-07% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 10.70882562957837 (1.33728e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 10.70882562792913 (1.54008e-08% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 10.70882562781417 (1.07346e-09% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 10.70882562781128 (2.69717e-11% change)
-Finished solving for bands 1 to 8 after 9 iterations.
-tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782
-elapsed time for k point: 0.0011010169982910156
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 10.66396644581557 (0.00701938% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 10.6638895643872 (0.000720948% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 10.66388515749335 (4.13254e-05% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 10.6638849780741 (1.68249e-06% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 10.66388495145453 (2.49624e-07% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 10.66388494762051 (3.59533e-08% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 10.66388494718304 (4.10242e-09% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 10.66388494713198 (4.78725e-10% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 10.66388494713049 (1.40091e-11% change)
-Finished solving for bands 1 to 8 after 9 iterations.
-tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533
-elapsed time for k point: 0.0011067390441894531
-solve_kpoint (0.35,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 10.62900860023464 (0.00703179% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 10.6289323953069 (0.000716955% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 10.62892818217895 (3.96383e-05% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 10.62892805633393 (1.18399e-06% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 10.62892804707553 (8.71056e-08% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 10.62892804604186 (9.72507e-09% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 10.62892804597542 (6.2508e-10% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 10.62892804596423 (1.05272e-10% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 10.62892804596352 (6.73513e-12% change)
-Finished solving for bands 1 to 8 after 9 iterations.
-tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841
-elapsed time for k point: 0.0010886192321777344
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 10.60403759597599 (0.00704272% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 10.60396176516587 (0.000715115% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 10.6039576473093 (3.88332e-05% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 10.60395754101094 (1.00244e-06% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 10.60395753615697 (4.57751e-08% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 10.60395753572879 (4.03789e-09% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 10.60395753570917 (1.85057e-10% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 10.6039575357088 (3.45088e-12% change)
-Finished solving for bands 1 to 8 after 8 iterations.
-tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356
-elapsed time for k point: 0.0010128021240234375
-solve_kpoint (0.45,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 10.58905458874505 (0.00704958% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 10.58897895638372 (0.000714253% change)
- linmin: converged after 8 iterations.
- switching to approximate line minimization (decrease time by 50.8475%)
- iteration 3: trace = 10.5889748855018 (3.84445e-05% change)
- switching back to exact line minimization
- iteration 4: trace = 10.58897478737543 (9.26684e-07% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 10.58897478401991 (3.16888e-08% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 10.58897478378886 (2.18201e-09% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 10.58897478377235 (1.55912e-10% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 10.58897478377203 (2.96927e-12% change)
-Finished solving for bands 1 to 8 after 8 iterations.
-tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885
-elapsed time for k point: 0.0009920597076416016
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 10.58406017889877 (0.00705116% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 10.58398461985988 (0.000713897% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 10.58398056403726 (3.83204e-05% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 10.58398046806651 (9.06755e-07% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 10.58398046509703 (2.80563e-08% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 10.58398046493153 (1.56373e-09% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 10.58398046491724 (1.34956e-10% change)
- linmin: converged after 1 iterations.
- iteration 8: trace = 10.58398046491709 (1.47694e-12% change)
-Finished solving for bands 1 to 8 after 8 iterations.
-tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817
-.elapsed time for k point: 0.0009996891021728516
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.1947746636682031 at Vector3<0.5, 0.0, 0.0>
-Band 2 range: 0.3064030262308444 at Vector3<0.5, 0.0, 0.0> to 0.4687748525867576 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.5466257501317443 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541648 at Vector3<0.5, 0.0, 0.0>
-Band 4 range: 0.7842615905093828 at Vector3<0.5, 0.0, 0.0> to 0.9893486155436864 at Vector3<0.0, 0.0, 0.0>
-Band 5 range: 1.0240548648147687 at Vector3<0.0, 0.0, 0.0> to 1.2440980042025878 at Vector3<0.5, 0.0, 0.0>
-Band 6 range: 1.266656686185507 at Vector3<0.5, 0.0, 0.0> to 1.4970379696967224 at Vector3<0.0, 0.0, 0.0>
-Band 7 range: 1.511580099464926 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910502 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.7581683208483647 at Vector3<0.5, 0.0, 0.0> to 1.999907200681132 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.1947746636682031) to band 2 (0.3064030262308444), 44.5464212842861%
-Gap from band 2 (0.4687748525867576) to band 3 (0.5466257501317443), 15.33402626245421%
-Gap from band 3 (0.7316504426541648) to band 4 (0.7842615905093828), 6.941187444158504%
-Gap from band 4 (0.9893486155436864) to band 5 (1.0240548648147687), 3.447520540185362%
-Gap from band 5 (1.2440980042025878) to band 6 (1.266656686185507), 1.7969642410133158%
-Gap from band 6 (1.4970379696967224) to band 7 (1.511580099464926), 0.9666982936292566%
-Gap from band 7 (1.7488359039910502) to band 8 (1.7581683208483647), 0.5322158890608062%
-total elapsed time for run: 0.026216745376586914
-done
-/tmp/meepg15Lzl/test_bragg_sine-0: 0.03s
-
-/tmp/meepg15Lzl/test_compute_field_energy-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013659000396728516
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14389467239379883
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.4063456058502197
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08934450149536133
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.08219027519226074
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09522700309753418
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14908194541931152
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.11251521110534668
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09567785263061523
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.08247971534729004
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07891368865966797
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.0788123607635498
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.0622861385345459
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07248735427856445
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09889411926269531
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11547017097473145
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.2547280788421631
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 2.021047353744507
-done
-Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388
-D-energy-components:, 16, 8, 0.499991, 0.500009, 0
-./tmp/meepg15Lzl/test_compute_field_energy-0: 2.02s
-
-/tmp/meepg15Lzl/test_compute_group_velocity-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.001360177993774414
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.1436300277709961
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.4044356346130371
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08940744400024414
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.08220434188842773
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09530162811279297
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14795732498168945
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.1124885082244873
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09537529945373535
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.08226919174194336
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07858109474182129
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.0787191390991211
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.06227850914001465
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07210683822631836
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09870290756225586
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11546516418457031
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-.elapsed time for k point: 0.2548239231109619
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 2.016399621963501
-done
-/tmp/meepg15Lzl/test_compute_group_velocity-0: 2.02s
-
-/tmp/meepg15Lzl/test_compute_integrals-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.00135040283203125
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.1436464786529541
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.40653562545776367
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08950591087341309
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.08218932151794434
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09559464454650879
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14876651763916016
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.11223506927490234
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09549570083618164
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.08251953125
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07896637916564941
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07867932319641113
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.062219858169555664
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07247567176818848
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09885191917419434
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11559748649597168
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.2549149990081787
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 2.0208888053894043
-done
-Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388
-H-energy-components:, 16, 8, 0, 0, 1
-Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099
-./tmp/meepg15Lzl/test_compute_integrals-0: 2.02s
-
-/tmp/meepg15Lzl/test_diamond-0
-========================
-Initializing eigensolver data
-Computing 5 bands with 1e-12 tolerance
-Working in 3 dimensions.
-Grid size is 16 x 16 x 16.
-Solving for 5 bands at a time.
-Creating Maxwell data...
-Mesh size is 5.
-Lattice vectors:
- (0, 0.5, 0.5)
- (0.5, 0, 0.5)
- (0.5, 0.5, 0)
-Cell volume = 0.25
-Reciprocal lattice vectors (/ 2 pi):
- (-1, 1, 1)
- (1, -1, 1)
- (1, 1, -1)
-Geometric objects:
- sphere, center = (0.125,0.125,0.125)
- radius 0.25
- sphere, center = (-0.125,-0.125,-0.125)
- radius 0.25
-Geometric object tree has depth 4 and 35 object nodes (vs. 2 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: .
-Initializing fields to random numbers...
-31 k-points
- Vector3<0.0, 0.5, 0.5>
- Vector3<0.0, 0.525, 0.475>
- Vector3<0.0, 0.55, 0.45>
- Vector3<0.0, 0.575, 0.425>
- Vector3<0.0, 0.6, 0.4>
- Vector3<0.0, 0.625, 0.375>
- Vector3<0.0, 0.6, 0.3>
- Vector3<0.0, 0.575, 0.225>
- Vector3<0.0, 0.55, 0.15000000000000002>
- Vector3<0.0, 0.525, 0.07500000000000001>
- Vector3<0.0, 0.5, 0.0>
- Vector3<0.0, 0.4, 0.0>
- Vector3<0.0, 0.3, 0.0>
- Vector3<0.0, 0.19999999999999996, 0.0>
- Vector3<0.0, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.0, 0.1, 0.1>
- Vector3<0.0, 0.2, 0.2>
- Vector3<0.0, 0.30000000000000004, 0.30000000000000004>
- Vector3<0.0, 0.4, 0.4>
- Vector3<0.0, 0.5, 0.5>
- Vector3<0.05, 0.55, 0.5>
- Vector3<0.1, 0.6, 0.5>
- Vector3<0.15000000000000002, 0.65, 0.5>
- Vector3<0.2, 0.7, 0.5>
- Vector3<0.25, 0.75, 0.5>
- Vector3<0.275, 0.75, 0.475>
- Vector3<0.3, 0.75, 0.45>
- Vector3<0.325, 0.75, 0.425>
- Vector3<0.35, 0.75, 0.4>
- Vector3<0.375, 0.75, 0.375>
-elapsed time for initialization: 0.0208132266998291
-solve_kpoint (0,0.5,0.5):
-freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5
-Solving for bands 1 to 5...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 7.793809388876734 (194.671% change)
- linmin: converged after 8 iterations.
- iteration 2: trace = 1.602644292878233 (131.777% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.230444137489674 (26.2752% change)
- linmin: converged after 7 iterations.
- iteration 4: trace = 1.145863323821901 (7.11868% change)
- linmin: converged after 7 iterations.
- iteration 5: trace = 1.108732460474563 (3.29379% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 1.095242895867568 (1.22411% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 1.086567900224123 (0.795211% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 1.082571254980187 (0.368501% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 1.079681031773776 (0.267335% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 1.07784196185811 (0.17048% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 1.07658971866119 (0.116248% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 1.075741300120796 (0.0788372% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 1.075332005396717 (0.0380549% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 1.075088183570877 (0.0226767% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 1.074991682595675 (0.0089765% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 1.074947859516338 (0.00407668% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 1.074928276104173 (0.00182182% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 1.074920023198566 (0.000767766% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 1.074915815055662 (0.000391485% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 1.074913897245545 (0.000178415% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 1.074912797130558 (0.000102345% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 1.074912135440156 (6.15576e-05% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 1.074911682476406 (4.21396e-05% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 1.074911185373714 (4.62459e-05% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 1.074910350283009 (7.76893e-05% change)
- large trace change predicted (0.000205026%)
- linmin: converged after 5 iterations.
- iteration 26: trace = 1.074908146483132 (0.000205022% change)
- large trace change predicted (0.000513652%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 1.07490262826197 (0.000513368% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 1.074894274699342 (0.000777149% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 1.074885559310737 (0.000810817% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 1.074878751252922 (0.000633377% change)
- linmin: converged after 7 iterations.
- iteration 31: trace = 1.074871979340896 (0.000630018% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 1.074864290595143 (0.00071532% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 1.074857335705497 (0.00064705% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 1.074852611926326 (0.000439481% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 1.074850531090792 (0.000193593% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 1.074849707707753 (7.66045e-05% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 1.074849401321547 (2.8505e-05% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 1.074849273654745 (1.18776e-05% change)
- linmin: converged after 7 iterations.
- iteration 39: trace = 1.074849202666278 (6.6045e-06% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 1.074849166432867 (3.37102e-06% change)
- linmin: converged after 2 iterations.
- iteration 41: trace = 1.074849150238921 (1.50662e-06% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 1.074849143715029 (6.06959e-07% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 1.074849140933313 (2.58801e-07% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 1.074849139366316 (1.45788e-07% change)
- linmin: converged after 2 iterations.
- iteration 45: trace = 1.074849138485003 (8.19942e-08% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 1.074849138034085 (4.19517e-08% change)
- linmin: converged after 2 iterations.
- iteration 47: trace = 1.074849137805405 (2.12755e-08% change)
- linmin: converged after 2 iterations.
- iteration 48: trace = 1.074849137683515 (1.13402e-08% change)
- linmin: converged after 2 iterations.
- iteration 49: trace = 1.074849137606227 (7.19065e-09% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 1.074849137561233 (4.18604e-09% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 1.074849137540571 (1.92229e-09% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 1.074849137533237 (6.82361e-10% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 1.074849137531041 (2.04289e-10% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 1.074849137530269 (7.18493e-11% change)
-Finished solving for bands 1 to 5 after 54 iterations.
-freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208
-elapsed time for k point: 0.3998570442199707
-solve_kpoint (0,0.525,0.475):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.075858895003848 (0.603183% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 1.073482649228938 (0.221114% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.072517250925701 (0.0899719% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.07226731835112 (0.0233061% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.072198684379732 (0.00640103% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.072184614555412 (0.00131225% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.072176813446787 (0.000727593% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 1.072174588825062 (0.000207487% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 1.072173275829781 (0.000122461% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 1.072172792730832 (4.50579e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.072172507137298 (2.66369e-05% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 1.072172093455102 (3.85836e-05% change)
- linmin: converged after 13 iterations.
- iteration 13: trace = 1.072171277805736 (7.60745e-05% change)
- large trace change predicted (0.000180553%)
- linmin: converged after 5 iterations.
- iteration 14: trace = 1.072169342022187 (0.000180548% change)
- linmin: converged after 16 iterations.
- iteration 15: trace = 1.072167408079079 (0.000180377% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 1.072166456174473 (8.87832e-05% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 1.072165970166683 (4.53295e-05% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 1.072165682214035 (2.68571e-05% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 1.072165408274992 (2.55501e-05% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 1.072165207652325 (1.87119e-05% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 1.07216510367804 (9.6976e-06% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 1.072165061729352 (3.91252e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 1.072165050577685 (1.04011e-06% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.072165047945189 (2.45531e-07% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.072165047308095 (5.94212e-08% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.072165047160103 (1.38031e-08% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.072165047103967 (5.2358e-09% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 1.07216504707559 (2.64669e-09% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 1.072165047058603 (1.58435e-09% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 1.072165047048055 (9.83784e-10% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 1.072165047042511 (5.17065e-10% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 1.072165047039758 (2.56782e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 1.07216504703864 (1.04254e-10% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 1.072165047038117 (4.88547e-11% change)
-Finished solving for bands 1 to 5 after 34 iterations.
-freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208
-elapsed time for k point: 0.2527585029602051
-solve_kpoint (0,0.55,0.45):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.068440466045205 (0.573523% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 1.066480807479963 (0.183581% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.065774667547763 (0.0662341% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.065585967274126 (0.017707% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.065530753732716 (0.00518165% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.065516120758966 (0.00137331% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 1.065506870654358 (0.000868137% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 1.065504384713838 (0.000233311% change)
- linmin: converged after 18 iterations.
- iteration 9: trace = 1.065503073473254 (0.000123063% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 1.065502572123757 (4.70529e-05% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 1.065502157725804 (3.88923e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.06550155124787 (5.69195e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 1.065500878596151 (6.31301e-05% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 1.065500247906648 (5.91919e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 1.065499909234968 (3.17852e-05% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 1.065499690826473 (2.04982e-05% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 1.065499506928749 (1.72593e-05% change)
- linmin: converged after 20 iterations.
- iteration 18: trace = 1.065499383728922 (1.15626e-05% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 1.065499315698634 (6.38483e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 1.065499294220984 (2.01574e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 1.065499288548681 (5.32361e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 1.065499287022425 (1.43243e-07% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 1.065499286677926 (3.23321e-08% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.065499286595517 (7.73437e-09% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.065499286570307 (2.36595e-09% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.065499286559613 (1.00371e-09% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 1.065499286551562 (7.5564e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 1.065499286546965 (4.31377e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 1.0654992865453 (1.56254e-10% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 1.06549928654484 (4.31794e-11% change)
-Finished solving for bands 1 to 5 after 30 iterations.
-freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501
-elapsed time for k point: 0.2239513397216797
-solve_kpoint (0,0.575,0.425):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.059540504499355 (0.530657% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.05798354916432 (0.147054% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.057502090064032 (0.0455176% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.057358559154869 (0.0135736% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.057314691601922 (0.00414887% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.057300876214259 (0.00130666% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 1.057292723699835 (0.000771072% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.057291059110143 (0.000157439% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 1.057290409951241 (6.13983e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 1.057290221445181 (1.78292e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 1.057290112028999 (1.03487e-05% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 1.057289958936161 (1.44797e-05% change)
- linmin: converged after 16 iterations.
- iteration 13: trace = 1.057289789269395 (1.60473e-05% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 1.057289654908358 (1.27081e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 1.05728960466552 (4.75204e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 1.057289590705038 (1.3204e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.057289585702304 (4.73166e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 1.057289583780866 (1.81732e-07% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 1.057289582678028 (1.04308e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 1.057289582066726 (5.78179e-08% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 1.05728958183277 (2.21279e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 1.057289581749869 (7.8409e-09% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 1.057289581718886 (2.93044e-09% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.057289581697566 (2.01644e-09% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.057289581676837 (1.96064e-09% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.057289581662593 (1.34719e-09% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.057289581656746 (5.52964e-10% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 1.057289581655314 (1.355e-10% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 1.057289581654965 (3.30141e-11% change)
-Finished solving for bands 1 to 5 after 29 iterations.
-freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601
-elapsed time for k point: 0.21616911888122559
-solve_kpoint (0,0.6,0.4):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.051100648814141 (0.506611% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.049691285821747 (0.134174% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.049314899107921 (0.0358633% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.049185433172377 (0.0123389% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.049147911038267 (0.00357637% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.049135854260348 (0.0011492% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 1.049129471311554 (0.000608402% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 1.049128247387994 (0.000116661% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 1.04912779156954 (4.34474e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 1.049127676630066 (1.09557e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 1.049127634485117 (4.01714e-06% change)
- linmin: converged after 26 iterations.
- iteration 12: trace = 1.04912759548366 (3.71751e-06% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.049127554116296 (3.94303e-06% change)
- linmin: converged after 22 iterations.
- iteration 14: trace = 1.049127517065815 (3.53155e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 1.049127502744468 (1.36507e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 1.049127499460315 (3.13037e-07% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.049127498551341 (8.66409e-08% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 1.049127498234713 (3.01801e-08% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 1.049127497940215 (2.80708e-08% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 1.049127497468462 (4.49663e-08% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 1.049127497017252 (4.30081e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 1.049127496798793 (2.0823e-08% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 1.049127496735693 (6.01448e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 1.049127496715387 (1.93557e-09% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.049127496707381 (7.63051e-10% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.049127496704079 (3.14782e-10% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.049127496702446 (1.55666e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 1.049127496701628 (7.79284e-11% change)
-Finished solving for bands 1 to 5 after 28 iterations.
-freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014
-elapsed time for k point: 0.20875215530395508
-solve_kpoint (0,0.625,0.375):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.043459216722463 (0.506828% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.041988342828767 (0.141061% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.041637917013636 (0.0336361% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.04150010817998 (0.0132309% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.041466538801386 (0.00322323% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.041456832909056 (0.000931949% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 1.04145212968613 (0.000451601% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.041451113409441 (9.75827e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 1.041450688275374 (4.08213e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 1.041450583335705 (1.00763e-05% change)
- linmin: converged after 15 iterations.
- iteration 11: trace = 1.04145055102366 (3.1026e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 1.041450527028424 (2.30402e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 1.041450494527918 (3.1207e-06% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 1.04145043539497 (5.67794e-06% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 1.041450384495773 (4.88734e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 1.041450353324324 (2.99308e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.041450318415118 (3.35198e-06% change)
- linmin: converged after 23 iterations.
- iteration 18: trace = 1.041450255970096 (5.99597e-06% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 1.041450142733959 (1.08729e-05% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 1.041450060666096 (7.88015e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 1.041450032793385 (2.67634e-06% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 1.041450025149674 (7.33949e-07% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 1.041450023239037 (1.83459e-07% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.04145002251745 (6.92867e-08% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.041450022090024 (4.10414e-08% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.04145002159701 (4.73392e-08% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.041450020726602 (8.35766e-08% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 1.041450019065773 (1.59473e-07% change)
- large trace change predicted (4.189e-07%)
- linmin: converged after 2 iterations.
- iteration 29: trace = 1.04145001470314 (4.189e-07% change)
- large trace change predicted (1.19651e-06%)
- linmin: converged after 16 iterations.
- iteration 30: trace = 1.041450002242192 (1.1965e-06% change)
- large trace change predicted (3.27802e-06%)
- linmin: converged after 3 iterations.
- iteration 31: trace = 1.04144996810502 (3.27785e-06% change)
- large trace change predicted (7.60992e-06%)
- linmin: converged after 3 iterations.
- iteration 32: trace = 1.041449888872006 (7.60795e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 1.041449762143182 (1.21685e-05% change)
- linmin: converged after 8 iterations.
- iteration 34: trace = 1.041449617733145 (1.38663e-05% change)
- linmin: converged after 5 iterations.
- iteration 35: trace = 1.041449518800372 (9.49953e-06% change)
- linmin: converged after 6 iterations.
- iteration 36: trace = 1.041449483215252 (3.41688e-06% change)
- linmin: converged after 7 iterations.
- iteration 37: trace = 1.041449473025162 (9.78453e-07% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 1.041449470385734 (2.53438e-07% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 1.041449469588867 (7.65151e-08% change)
- linmin: converged after 20 iterations.
- iteration 40: trace = 1.041449469287295 (2.8957e-08% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 1.041449469189142 (9.42459e-09% change)
- linmin: converged after 10 iterations.
- iteration 42: trace = 1.041449469160062 (2.79229e-09% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 1.04144946915253 (7.23263e-10% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 1.04144946915032 (2.12205e-10% change)
- linmin: converged after 2 iterations.
- iteration 45: trace = 1.041449469149446 (8.38971e-11% change)
-Finished solving for bands 1 to 5 after 45 iterations.
-freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514
-elapsed time for k point: 0.3338472843170166
-Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762
-D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141
-Outputting /tmp/meepg15Lzl/test_diamond-0-dpwr.k06.b01.h5...
-D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141
-Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515
-D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996
-Outputting /tmp/meepg15Lzl/test_diamond-0-dpwr.k06.b02.h5...
-D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996
-Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616
-D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693
-Outputting /tmp/meepg15Lzl/test_diamond-0-dpwr.k06.b03.h5...
-D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693
-Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915
-D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805
-Outputting /tmp/meepg15Lzl/test_diamond-0-dpwr.k06.b04.h5...
-D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805
-Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979
-D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046
-Outputting /tmp/meepg15Lzl/test_diamond-0-dpwr.k06.b05.h5...
-D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046
-solve_kpoint (0,0.6,0.3):
-Solving for bands 1 to 5...
- linmin: converged after 4 iterations.
- iteration 1: trace = 1.039665448918141 (2.28714% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 1.03126174447369 (0.811589% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.027058258259599 (0.408439% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 1.020314522193447 (0.65877% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.016895452943936 (0.335662% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.013850701572565 (0.299865% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.012826541833987 (0.101068% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 1.012456630988233 (0.0365293% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 1.012302653572539 (0.0152095% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 1.012263470101499 (0.0038708% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.012248751191856 (0.00145407% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.012243323298405 (0.000536223% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 1.012239242815871 (0.000403114% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 1.012234289032094 (0.00048939% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 1.012226176757293 (0.000801426% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 1.012212339553813 (0.00136702% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 1.012198494702927 (0.00136779% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 1.012188204927564 (0.00101658% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 1.012182979177564 (0.000516284% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 1.012180431891034 (0.000251663% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 1.012179050266534 (0.0001365% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 1.012178436832588 (6.06053e-05% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 1.012178138308118 (2.94933e-05% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.012178008609885 (1.28138e-05% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 1.012177948013927 (5.98669e-06% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 1.012177914414934 (3.31947e-06% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 1.012177899398552 (1.48357e-06% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 1.012177891703032 (7.60293e-07% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 1.012177888011668 (3.64695e-07% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 1.012177886482547 (1.51072e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.012177885943443 (5.32618e-08% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 1.012177885797334 (1.44352e-08% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 1.012177885757129 (3.97212e-09% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 1.012177885742624 (1.43305e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 1.01217788573651 (6.04e-10% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 1.012177885733493 (2.98062e-10% change)
- linmin: converged after 2 iterations.
- iteration 37: trace = 1.012177885731931 (1.54285e-10% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 1.01217788573071 (1.20677e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 1.012177885728822 (1.86489e-10% change)
- large trace change predicted (3.79806e-10%)
- linmin: converged after 3 iterations.
- iteration 40: trace = 1.012177885724983 (3.7934e-10% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 1.012177885719431 (5.48542e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 1.012177885715906 (3.48233e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 1.012177885714417 (1.47068e-10% change)
- linmin: converged after 6 iterations.
- iteration 44: trace = 1.012177885713607 (8.00492e-11% change)
-Finished solving for bands 1 to 5 after 44 iterations.
-freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291
-elapsed time for k point: 0.32593297958374023
-solve_kpoint (0,0.575,0.225):
-Solving for bands 1 to 5...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.9915573055188105 (2.26017% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.9866607516796273 (0.495047% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.985915134572086 (0.0755983% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.9856473004079666 (0.0271697% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.9855722861007572 (0.00761095% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.9855592500247952 (0.0013227% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.9855531508569249 (0.000618855% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.9855520633527013 (0.000110345% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.9855516310521106 (4.38638e-05% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.9855514450622063 (1.88717e-05% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 0.9855513230133151 (1.23838e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.9855511986808408 (1.26155e-05% change)
- linmin: converged after 14 iterations.
- iteration 13: trace = 0.9855510508800431 (1.49968e-05% change)
- large trace change predicted (3.62683e-05%)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.9855506934425549 (3.62678e-05% change)
- large trace change predicted (0.000117862%)
- linmin: converged after 3 iterations.
- iteration 15: trace = 0.9855495321097341 (0.000117836% change)
- large trace change predicted (0.00166434%)
- linmin: converged after 7 iterations.
- iteration 16: trace = 0.9855348565844813 (0.00148908% change)
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 17: trace = 0.9854855136907122 (0.00500684% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 0.9854692412137787 (0.00165123% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 0.9854542312192751 (0.00152314% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 0.9854392662898253 (0.00151859% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 0.9854239738374098 (0.00155185% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 0.9854083703854308 (0.00158344% change)
- linmin: converged after 7 iterations.
- iteration 23: trace = 0.9853925763868612 (0.0016028% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.9853765755222155 (0.00162382% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.9853601724904575 (0.00166466% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 0.9853431529185689 (0.00172726% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 0.9853255062152675 (0.00179094% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 0.9853075669332334 (0.00182066% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.9852899530731823 (0.00178767% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 0.9852733064681282 (0.00168953% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.9852580378801779 (0.00154969% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 0.9852442584665031 (0.00139857% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 0.9852318665432616 (0.00125776% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 0.9852206658413795 (0.00113687% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.9852104475657839 (0.00103716% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 0.985201030587406 (0.000955839% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.9851922745104321 (0.000888764% change)
- linmin: converged after 6 iterations.
- iteration 38: trace = 0.985184078898952 (0.000831883% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 0.9851763765317376 (0.000781823% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 0.9851691247369359 (0.000736094% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 0.9851622968634405 (0.000693069% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 0.9851558749686684 (0.000651864% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 0.9851498442474425 (0.000612161% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 0.9851441893299313 (0.000574018% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 0.9851388922795947 (0.000537694% change)
- linmin: converged after 5 iterations.
- iteration 46: trace = 0.9851339319745713 (0.000503515% change)
- linmin: converged after 6 iterations.
- iteration 47: trace = 0.9851292842174566 (0.00047179% change)
- linmin: converged after 6 iterations.
- iteration 48: trace = 0.9851249227544374 (0.000442731% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 0.9851208201354336 (0.000416458% change)
- linmin: converged after 6 iterations.
- iteration 50: trace = 0.985116948670044 (0.000392995% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 0.9851132814158994 (0.000372267% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.985109792752574 (0.000354139% change)
- linmin: converged after 6 iterations.
- iteration 53: trace = 0.9851064589339564 (0.000338422% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 0.985103258433947 (0.000324889% change)
- linmin: converged after 5 iterations.
- iteration 55: trace = 0.9851001721178921 (0.000313299% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 0.9850971833422346 (0.000303399% change)
- linmin: converged after 6 iterations.
- iteration 57: trace = 0.9850942779612889 (0.000294934% change)
- linmin: converged after 5 iterations.
- iteration 58: trace = 0.9850914442739287 (0.000287657% change)
- linmin: converged after 6 iterations.
- iteration 59: trace = 0.9850886728973864 (0.000281332% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 0.9850859566438679 (0.000275737% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 0.985083290302922 (0.000270671% change)
- linmin: converged after 5 iterations.
- iteration 62: trace = 0.9850806704322035 (0.000265955% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 0.9850780951153988 (0.000261432% change)
- linmin: converged after 5 iterations.
- iteration 64: trace = 0.9850755636853383 (0.000256978% change)
- linmin: converged after 7 iterations.
- iteration 65: trace = 0.9850730764535367 (0.000252492% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 0.9850706344229587 (0.000247904% change)
- linmin: converged after 5 iterations.
- iteration 67: trace = 0.9850682390428733 (0.000243169% change)
- linmin: converged after 5 iterations.
- iteration 68: trace = 0.9850658919478763 (0.000238268% change)
- linmin: converged after 6 iterations.
- iteration 69: trace = 0.9850635947572814 (0.000233202% change)
- resetting CG direction...
- large trace change predicted (0.0412898%)
- linmin: converged after 4 iterations.
- iteration 70: trace = 0.9846563226321232 (0.0413533% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 0.9844601744110943 (0.0199225% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 0.9843700908035093 (0.00915098% change)
- linmin: converged after 5 iterations.
- iteration 73: trace = 0.9843454544632328 (0.00250278% change)
- linmin: converged after 5 iterations.
- iteration 74: trace = 0.9843309741800621 (0.00147107% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.9843269360335394 (0.000410244% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 0.984325925508553 (0.000102662% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 0.9843252602722731 (6.7583e-05% change)
- linmin: converged after 9 iterations.
- iteration 78: trace = 0.9843249585532741 (3.06524e-05% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 0.984324827002671 (1.33646e-05% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.9843247642174826 (6.3785e-06% change)
- linmin: converged after 21 iterations.
- iteration 81: trace = 0.9843247334142549 (3.12938e-06% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.9843247239633147 (9.60145e-07% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 0.9843247200132017 (4.01302e-07% change)
- linmin: converged after 4 iterations.
- iteration 84: trace = 0.9843247177623149 (2.28673e-07% change)
- linmin: converged after 4 iterations.
- iteration 85: trace = 0.9843247140412077 (3.78037e-07% change)
- large trace change predicted (8.17026e-07%)
- linmin: converged after 4 iterations.
- iteration 86: trace = 0.9843247059989855 (8.17029e-07% change)
- large trace change predicted (1.83753e-06%)
- linmin: converged after 4 iterations.
- iteration 87: trace = 0.9843246879119369 (1.83751e-06% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 0.9843246566951747 (3.17139e-06% change)
- linmin: converged after 15 iterations.
- iteration 89: trace = 0.9843246205606317 (3.671e-06% change)
- linmin: converged after 4 iterations.
- iteration 90: trace = 0.9843246064917273 (1.4293e-06% change)
- linmin: converged after 5 iterations.
- iteration 91: trace = 0.9843246017421499 (4.82521e-07% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 0.9843246002813074 (1.48411e-07% change)
- linmin: converged after 3 iterations.
- iteration 93: trace = 0.9843245999240422 (3.62955e-08% change)
- linmin: converged after 3 iterations.
- iteration 94: trace = 0.9843245998040482 (1.21905e-08% change)
- linmin: converged after 4 iterations.
- iteration 95: trace = 0.9843245997561223 (4.86891e-09% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 0.9843245997430943 (1.32355e-09% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 0.9843245997404594 (2.67685e-10% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 0.9843245997396673 (8.04646e-11% change)
-Finished solving for bands 1 to 5 after 98 iterations.
-freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723
-elapsed time for k point: 0.721135139465332
-solve_kpoint (0,0.55,0.15):
-Solving for bands 1 to 5...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.9646769163082063 (2.39738% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.9596027655498416 (0.527382% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.9585165712859467 (0.113256% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.9579432893176263 (0.0598272% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.957753478271237 (0.0198164% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.9577044743110649 (0.00511668% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.9576786087113478 (0.00270083% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.9576698781006379 (0.000911647% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 0.9576629132448566 (0.000727274% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 0.9576596029412843 (0.000345665% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.9576578418244525 (0.000183898% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.9576568119851189 (0.000107537% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.9576563729712588 (4.58425e-05% change)
- linmin: converged after 19 iterations.
- iteration 14: trace = 0.9576561629432221 (2.19315e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 0.9576560823100085 (8.41985e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 0.9576560023094209 (8.35379e-06% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 0.9576558845381139 (1.22979e-05% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.9576557606446515 (1.29372e-05% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 0.9576556898706394 (7.39034e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 0.9576556668427911 (2.40461e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 0.9576556603473727 (6.78262e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 0.957655658603465 (1.82102e-07% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 0.9576556582296492 (3.90345e-08% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 0.9576556581384016 (9.52822e-09% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 0.9576556581169053 (2.24467e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.9576556581121123 (5.00499e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 0.9576556581107218 (1.45192e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 0.9576556581103823 (3.54518e-11% change)
-Finished solving for bands 1 to 5 after 28 iterations.
-freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575
-elapsed time for k point: 0.20988202095031738
-solve_kpoint (0,0.525,0.075):
-Solving for bands 1 to 5...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.9479336872150527 (2.3896% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.9430867597778365 (0.512626% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.941981873965237 (0.117225% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.9413709083882282 (0.0648806% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.9411784896544571 (0.0204424% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.9411437673764198 (0.0036893% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.9411282197691544 (0.001652% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.9411228844482352 (0.000566909% change)
- linmin: converged after 7 iterations.
- iteration 9: trace = 0.941117722411677 (0.000548499% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.9411142194231239 (0.000372216% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 0.9411125302492718 (0.000179487% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.9411116700164435 (9.1406e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.9411114151351252 (2.7083e-05% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 0.941111312557934 (1.08996e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 0.9411112840457978 (3.02962e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 0.9411112731925684 (1.15324e-06% change)
- linmin: converged after 26 iterations.
- iteration 17: trace = 0.9411112675855979 (5.95782e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 0.9411112644312605 (3.35172e-07% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 0.9411112620729626 (2.50587e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 0.9411112600571808 (2.14192e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 0.9411112586302771 (1.51619e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 0.9411112579896637 (6.80699e-08% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 0.941111257817919 (1.82491e-08% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 0.9411112577748142 (4.58021e-09% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 0.9411112577644222 (1.10423e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.941111257762292 (2.26348e-10% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 0.9411112577617193 (6.08486e-11% change)
-Finished solving for bands 1 to 5 after 27 iterations.
-freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057
-elapsed time for k point: 0.2022106647491455
-solve_kpoint (0,0.5,0):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.9431496225335785 (2.3985% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.9380796204968544 (0.539009% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.9367721035397323 (0.13948% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.9359917825716043 (0.0833336% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.9357711657243539 (0.0235732% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.9357390464145803 (0.00343245% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.9357282065214862 (0.00115844% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.935726090656777 (0.00022612% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 0.9357251462394749 (0.000100929% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 0.9357245153926679 (6.7418e-05% change)
- linmin: converged after 9 iterations.
- iteration 11: trace = 0.935724118685711 (4.23957e-05% change)
- linmin: converged after 17 iterations.
- iteration 12: trace = 0.9357237683382605 (3.74413e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.9357236170895014 (1.61638e-05% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 0.9357235495974339 (7.21282e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 0.9357235309444131 (1.99343e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 0.9357235256266005 (5.6831e-07% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 0.9357235236195143 (2.14496e-07% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 0.9357235229374928 (7.28871e-08% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 0.9357235227208449 (2.3153e-08% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 0.9357235226594707 (6.55901e-09% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 0.9357235226426122 (1.80166e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 0.9357235226371357 (5.8527e-10% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 0.9357235226350287 (2.25171e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 0.9357235226340201 (1.0778e-10% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.9357235226332373 (8.36591e-11% change)
-Finished solving for bands 1 to 5 after 25 iterations.
-freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558
-elapsed time for k point: 0.18717217445373535
-solve_kpoint (0,0.4,0):
-Solving for bands 1 to 5...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.9531656172626821 (2.95521% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.9465651869298922 (0.694881% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.9460975825933921 (0.0494123% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.9458503027170811 (0.0261402% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 0.9458090123516516 (0.00436552% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.9457956329513351 (0.00141461% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.9457917144910897 (0.000414304% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.9457908288630771 (9.36388e-05% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.9457904833985004 (3.65265e-05% change)
- linmin: converged after 8 iterations.
- iteration 10: trace = 0.9457903738934191 (1.15782e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.9457903287956915 (4.76826e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 0.9457903098667371 (2.00139e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 0.945790300833286 (9.55122e-07% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 0.9457902938373184 (7.39695e-07% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 0.9457902889826169 (5.13296e-07% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 0.9457902856358911 (3.53855e-07% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 0.9457902842649593 (1.44951e-07% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 0.9457902838788874 (4.082e-08% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 0.9457902837821091 (1.02325e-08% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.9457902837614061 (2.18896e-09% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 0.9457902837571451 (4.50515e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 0.9457902837561455 (1.05694e-10% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 0.945790283755921 (2.37354e-11% change)
-Finished solving for bands 1 to 5 after 23 iterations.
-freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351
-elapsed time for k point: 0.17316126823425293
-solve_kpoint (0,0.3,0):
-Solving for bands 1 to 5...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.9838330564819231 (2.82864% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.9767698261618407 (0.720516% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.975990834248063 (0.0797837% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.9754521141782281 (0.0552125% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.975343923966862 (0.0110919% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.9752879087036856 (0.00574329% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.9752720379978688 (0.0016273% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.9752675452795285 (0.000460664% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.9752661173620061 (0.000146413% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.9752657982804043 (3.27174e-05% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.9752656737712461 (1.27667e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 0.975265598656986 (7.70193e-06% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.9752655199382996 (8.07151e-06% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 0.975265458605133 (6.28887e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 0.9752654363667408 (2.28024e-06% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.9752654288851366 (7.67135e-07% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 0.9752654270617361 (1.86965e-07% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 0.9752654266193436 (4.53612e-08% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 0.9752654264923916 (1.30172e-08% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 0.9752654264573508 (3.59294e-09% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 0.9752654264468741 (1.07424e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 0.9752654264434993 (3.46033e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 0.9752654264424245 (1.10207e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 0.9752654264419814 (4.54328e-11% change)
-Finished solving for bands 1 to 5 after 24 iterations.
-freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633
-elapsed time for k point: 0.17981410026550293
-solve_kpoint (0,0.2,0):
-Solving for bands 1 to 5...
- linmin: converged after 7 iterations.
- iteration 1: trace = 1.031310457525339 (2.74381% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.023001395901209 (0.808939% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.020944596104372 (0.201258% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 1.019196682336968 (0.171352% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.018718077778314 (0.04697% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 1.018308274746612 (0.0402354% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.018176585208324 (0.012933% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.018122381585613 (0.00532374% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 1.018108141501955 (0.00139867% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 1.01810468837719 (0.000339171% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.018103724639192 (9.46601e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 1.018103471304881 (2.4883e-05% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 1.018103337799628 (1.31131e-05% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 1.018103254441739 (8.18757e-06% change)
- linmin: converged after 17 iterations.
- iteration 15: trace = 1.018103204661031 (4.88955e-06% change)
- linmin: converged after 8 iterations.
- iteration 16: trace = 1.018103175566654 (2.8577e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.018103161363209 (1.39509e-06% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 1.018103152357129 (8.84594e-07% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 1.018103147246914 (5.01935e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 1.018103144530303 (2.66831e-07% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 1.018103143433503 (1.0773e-07% change)
- linmin: converged after 16 iterations.
- iteration 22: trace = 1.018103143020116 (4.06036e-08% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 1.018103142868816 (1.4861e-08% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 1.018103142826693 (4.13738e-09% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.018103142813693 (1.27687e-09% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 1.018103142809127 (4.48537e-10% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 1.018103142807081 (2.00889e-10% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 1.018103142806048 (1.01546e-10% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 1.018103142805607 (4.32485e-11% change)
-Finished solving for bands 1 to 5 after 29 iterations.
-freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923
-elapsed time for k point: 0.2162156105041504
-solve_kpoint (0,0.1,0):
-Solving for bands 1 to 5...
- linmin: converged after 9 iterations.
- iteration 1: trace = 1.077079219748294 (2.88237% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 1.066262027914489 (1.00938% change)
- linmin: converged after 7 iterations.
- iteration 3: trace = 1.059824264961903 (0.605598% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 1.056454446691333 (0.318466% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.055117395208793 (0.12664% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 1.053973327355148 (0.108489% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.053442526128483 (0.0503746% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.053206381305628 (0.022419% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 1.053116219805339 (0.00856103% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.053071769622508 (0.00422091% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.053056103815011 (0.00148764% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.053047222787794 (0.000843361% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 1.053042139513933 (0.000482722% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 1.053037941123147 (0.000398692% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 1.053035343143514 (0.000246713% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 1.053034079935653 (0.000119959% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 1.053033595937136 (4.59623e-05% change)
- linmin: converged after 7 iterations.
- iteration 18: trace = 1.053033362151741 (2.22011e-05% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 1.053033220622987 (1.34401e-05% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 1.053033136180599 (8.01897e-06% change)
- linmin: converged after 10 iterations.
- iteration 21: trace = 1.053033092856761 (4.1142e-06% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 1.053033069955637 (2.17478e-06% change)
- linmin: converged after 20 iterations.
- iteration 23: trace = 1.053033056567452 (1.27139e-06% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.053033050086778 (6.15429e-07% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 1.053033046929906 (2.99788e-07% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 1.053033045492603 (1.36492e-07% change)
- linmin: converged after 30 iterations.
- iteration 27: trace = 1.053033044713362 (7.39996e-08% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 1.05303304419562 (4.91668e-08% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 1.05303304381155 (3.64727e-08% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 1.05303304357991 (2.19975e-08% change)
- linmin: converged after 12 iterations.
- iteration 31: trace = 1.053033043469699 (1.0466e-08% change)
- linmin: converged after 7 iterations.
- iteration 32: trace = 1.053033043429301 (3.8363e-09% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 1.0530330434156 (1.3011e-09% change)
- linmin: converged after 13 iterations.
- iteration 34: trace = 1.053033043410165 (5.16106e-10% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 1.053033043407258 (2.7606e-10% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 1.053033043404644 (2.4829e-10% change)
- linmin: converged after 9 iterations.
- iteration 37: trace = 1.053033043402348 (2.1801e-10% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 1.053033043401221 (1.07055e-10% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 1.053033043400877 (3.26625e-11% change)
-Finished solving for bands 1 to 5 after 39 iterations.
-freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052
-elapsed time for k point: 0.28907108306884766
-solve_kpoint (0,0,0):
-Solving for bands 3 to 5...
- linmin: converged after 7 iterations.
- iteration 1: trace = 1.125418509190836 (26.786% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 1.086199374680966 (3.54665% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.077433840602779 (0.810261% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 1.070916422402577 (0.606737% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 1.067955177230516 (0.276898% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.066404296467224 (0.145325% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.065591405105607 (0.0762564% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.065169288340976 (0.0396212% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.064947504768299 (0.0208236% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.064821092340354 (0.011871% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.064775779630051 (0.00425552% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.064759862322812 (0.00149491% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.064754343598675 (0.000518308% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 1.064752586160355 (0.000165056% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 1.06475193418626 (6.12325e-05% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 1.064751716375277 (2.04565e-05% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.064751641473009 (7.03472e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 1.064751608763356 (3.07205e-06% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 1.06475159444411 (1.34484e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 1.064751588378962 (5.6963e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 1.064751585065904 (3.11158e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 1.064751582775834 (2.1508e-07% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 1.064751581427304 (1.26652e-07% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.064751580863343 (5.29664e-08% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.064751580697916 (1.55367e-08% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.064751580656116 (3.92583e-09% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.064751580642665 (1.2633e-09% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 1.06475158063819 (4.20211e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 1.064751580636453 (1.63184e-10% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 1.064751580635709 (6.98613e-11% change)
-Finished solving for bands 3 to 5 after 30 iterations.
-freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839
-elapsed time for k point: 0.11794900894165039
-solve_kpoint (0,0.1,0.1):
-Solving for bands 1 to 5...
- linmin: converged after 9 iterations.
- iteration 1: trace = 1.083139123993515 (4.15252% change)
- linmin: converged after 8 iterations.
- iteration 2: trace = 1.067759464050544 (1.43007% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.058743055847533 (0.848004% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.055821359692891 (0.27634% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.055194292753252 (0.059409% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.054515707102696 (0.0643298% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.054199358517807 (0.0300039% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.054015026128709 (0.0174871% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.053945642710522 (0.00658299% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.053916462348828 (0.00276872% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.053905508373106 (0.00103936% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.053902318616982 (0.000302661% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 1.053901410289628 (8.61871e-05% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 1.053901190385522 (2.08657e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 1.053901094722907 (9.077e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 1.053901042329603 (4.97137e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.053901016387587 (2.46152e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 1.053901002297739 (1.33692e-06% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 1.053900994619984 (7.28508e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 1.053900989320632 (5.02832e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 1.053900987123137 (2.08511e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 1.053900986524413 (5.68102e-08% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 1.053900986366484 (1.49852e-08% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 1.053900986325053 (3.93117e-09% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.053900986310451 (1.38559e-09% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 1.053900986303701 (6.40492e-10% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 1.053900986300592 (2.94985e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 1.05390098629891 (1.59575e-10% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 1.0539009862981 (7.6817e-11% change)
-Finished solving for bands 1 to 5 after 29 iterations.
-freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581
-elapsed time for k point: 0.21651363372802734
-solve_kpoint (0,0.2,0.2):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.065595398928579 (3.90048% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 1.05545012730131 (0.956629% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.052399474005146 (0.289456% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.05104742363618 (0.128556% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.050891451863719 (0.0148408% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.050820039910738 (0.0067956% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.050776389407954 (0.00415403% change)
- linmin: converged after 22 iterations.
- iteration 8: trace = 1.050735518700124 (0.00388965% change)
- linmin: converged after 9 iterations.
- iteration 9: trace = 1.050712406629498 (0.00219963% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 1.050703645182211 (0.000833861% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.05070052794763 (0.000296681% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 1.050699532774888 (9.47152e-05% change)
- linmin: converged after 7 iterations.
- iteration 13: trace = 1.050699177150718 (3.38464e-05% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 1.050699067583428 (1.0428e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 1.050699026853781 (3.87643e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 1.050699005022337 (2.0778e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 1.05069898996691 (1.4329e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 1.050698977063516 (1.22808e-06% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 1.050698967444914 (9.15448e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 1.05069896036237 (6.74079e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 1.050698956757341 (3.43108e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 1.050698955164584 (1.5159e-07% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 1.050698954594422 (5.42651e-08% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.050698954368867 (2.14671e-08% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 1.050698954208976 (1.52176e-08% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.050698954069499 (1.32747e-08% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.050698953980485 (8.4719e-09% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 1.05069895394582 (3.29923e-09% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 1.050698953935617 (9.71084e-10% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 1.050698953931685 (3.74182e-10% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 1.050698953929971 (1.63126e-10% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 1.050698953929234 (7.01406e-11% change)
-Finished solving for bands 1 to 5 after 32 iterations.
-freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064
-elapsed time for k point: 0.23823022842407227
-solve_kpoint (0,0.3,0.3):
-Solving for bands 1 to 5...
- linmin: converged after 4 iterations.
- iteration 1: trace = 1.088279540873554 (4.02105% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.078010312383157 (0.948094% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 1.076219990626864 (0.166215% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.075124540387689 (0.101839% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.07488881031914 (0.0219282% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.074611210358773 (0.0258293% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.074337620664562 (0.0254627% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.07413313855772 (0.0190351% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.074051063054056 (0.00764138% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.074029420989965 (0.00201501% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.074020142121589 (0.000863934% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.074016815860834 (0.000309702% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 1.074015086574427 (0.000161011% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 1.074014221795601 (8.05183e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 1.074013421483326 (7.4516e-05% change)
- large trace change predicted (0.000149807%)
- linmin: converged after 5 iterations.
- iteration 16: trace = 1.074011812469476 (0.000149813% change)
- large trace change predicted (0.000490882%)
- linmin: converged after 10 iterations.
- iteration 17: trace = 1.074006542454389 (0.000490686% change)
- large trace change predicted (0.00906198%)
- linmin: converged after 6 iterations.
- iteration 18: trace = 1.073941701043524 (0.00603752% change)
- large trace change predicted (0.0314784%)
- linmin: converged after 12 iterations.
- iteration 19: trace = 1.073871054644488 (0.00657845% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 1.073836865045437 (0.00318382% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 1.073810051812881 (0.00249699% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 1.073786930252984 (0.00215325% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 1.073765951855709 (0.0019537% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 1.073746099954997 (0.00184883% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 1.07372654968384 (0.00182077% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 1.07370665270057 (0.00185309% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 1.073686048065295 (0.00191904% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 1.073664807517757 (0.0019783% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 1.073643487597951 (0.00198573% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 1.073622933050627 (0.00191449% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 1.073603845346755 (0.00177789% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 1.073586422595537 (0.00162284% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 1.073570337616839 (0.00149826% change)
- linmin: converged after 6 iterations.
- iteration 34: trace = 1.073554964235346 (0.001432% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 1.07353962913353 (0.00142845% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 1.07352380058229 (0.00147444% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 1.07350721916049 (0.00154459% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 1.073489950025206 (0.00160868% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 1.073472300742344 (0.00164412% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 1.073454608133454 (0.00164818% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 1.073437013942841 (0.00163904% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 1.073419364058392 (0.00164425% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 1.073401253309573 (0.00168722% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 1.073382150317043 (0.00177969% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 1.07336154432539 (0.00191974% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 1.073339086928109 (0.00209227% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 1.073314699937172 (0.00227209% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 1.073288605942993 (0.00243119% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 1.073261255811686 (0.00254829% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 1.073233183714413 (0.00261562% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 1.073204865455954 (0.00263863% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 1.073176643673077 (0.00262971% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 1.073148730865096 (0.00260099% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 1.073121259315561 (0.00255993% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 1.07309433867515 (0.00250866% change)
- linmin: converged after 5 iterations.
- iteration 56: trace = 1.073068095131715 (0.00244563% change)
- linmin: converged after 6 iterations.
- iteration 57: trace = 1.073042683039002 (0.0023682% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 1.07301827264155 (0.0022749% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 1.072995024705294 (0.00216662% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 1.072973064582972 (0.00204664% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 1.072952465308809 (0.00191985% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 1.072933243744828 (0.00179148% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 1.072915368319464 (0.00166605% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 1.072898773564854 (0.00154671% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 1.072883375990663 (0.00143515% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 1.0728690870667 (0.00133183% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 1.072855821086758 (0.0012365% change)
- linmin: converged after 5 iterations.
- iteration 68: trace = 1.072843497615136 (0.00114867% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 1.072832039669942 (0.001068% change)
- resetting CG direction...
- large trace change predicted (0.0590982%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 1.072198123213173 (0.0591056% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 1.071347118239733 (0.0794016% change)
- linmin: converged after 5 iterations.
- iteration 72: trace = 1.070541463028519 (0.0752285% change)
- linmin: converged after 5 iterations.
- iteration 73: trace = 1.069893830565265 (0.0605141% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 1.069675879075328 (0.0203734% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 1.069604565077048 (0.0066671% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 1.069582041223729 (0.00210583% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 1.069571765034444 (0.000960771% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 1.069569886835617 (0.000175603% change)
- linmin: converged after 24 iterations.
- iteration 79: trace = 1.06956893456843 (8.90328e-05% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 1.069568397381592 (5.02246e-05% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 1.069567984275286 (3.86237e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 1.069567784172026 (1.87088e-05% change)
- linmin: converged after 10 iterations.
- iteration 83: trace = 1.069567559606956 (2.09959e-05% change)
- linmin: converged after 4 iterations.
- iteration 84: trace = 1.06956739532616 (1.53596e-05% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 1.069567279689921 (1.08115e-05% change)
- linmin: converged after 7 iterations.
- iteration 86: trace = 1.069567202427575 (7.2237e-06% change)
- linmin: converged after 13 iterations.
- iteration 87: trace = 1.069567123735572 (7.35737e-06% change)
- linmin: converged after 4 iterations.
- iteration 88: trace = 1.069566990372406 (1.24689e-05% change)
- linmin: converged after 4 iterations.
- iteration 89: trace = 1.069566806435123 (1.71974e-05% change)
- linmin: converged after 18 iterations.
- iteration 90: trace = 1.069566611505561 (1.82251e-05% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 1.069566258368391 (3.30169e-05% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 1.069565649811474 (5.68976e-05% change)
- large trace change predicted (0.000165074%)
- linmin: converged after 4 iterations.
- iteration 93: trace = 1.069563887345637 (0.000164783% change)
- large trace change predicted (0.000584339%)
- linmin: converged after 6 iterations.
- iteration 94: trace = 1.069557815178935 (0.000567725% change)
- large trace change predicted (0.00612923%)
- linmin: converged after 7 iterations.
- iteration 95: trace = 1.069531840301829 (0.00242859% change)
- linmin: converged after 7 iterations.
- iteration 96: trace = 1.06951158152307 (0.00189419% change)
- linmin: converged after 7 iterations.
- iteration 97: trace = 1.06949650195719 (0.00140996% change)
- linmin: converged after 7 iterations.
- iteration 98: trace = 1.069483719262493 (0.00119521% change)
- linmin: converged after 6 iterations.
- iteration 99: trace = 1.069471280069923 (0.00116311% change)
- linmin: converged after 5 iterations.
- iteration 100: trace = 1.069459236278697 (0.00112615% change)
- linmin: converged after 6 iterations.
- iteration 101: trace = 1.069448853527677 (0.000970846% change)
- linmin: converged after 9 iterations.
- iteration 102: trace = 1.069440425309504 (0.000788093% change)
- linmin: converged after 6 iterations.
- iteration 103: trace = 1.069433418690631 (0.000655169% change)
- linmin: converged after 7 iterations.
- iteration 104: trace = 1.069427354305229 (0.000567067% change)
- linmin: converged after 7 iterations.
- iteration 105: trace = 1.069421994829825 (0.000501155% change)
- linmin: converged after 7 iterations.
- iteration 106: trace = 1.06941724042802 (0.000444578% change)
- linmin: converged after 5 iterations.
- iteration 107: trace = 1.069413025117769 (0.00039417% change)
- linmin: converged after 5 iterations.
- iteration 108: trace = 1.069409275547888 (0.00035062% change)
- linmin: converged after 8 iterations.
- iteration 109: trace = 1.069405911972547 (0.000314527% change)
- linmin: converged after 6 iterations.
- iteration 110: trace = 1.069402860891335 (0.000285307% change)
- linmin: converged after 5 iterations.
- iteration 111: trace = 1.069400062375236 (0.00026169% change)
- linmin: converged after 7 iterations.
- iteration 112: trace = 1.069397472713876 (0.00024216% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 1.069395060383547 (0.000225579% change)
- linmin: converged after 9 iterations.
- iteration 114: trace = 1.069392801032389 (0.000211274% change)
- linmin: converged after 8 iterations.
- iteration 115: trace = 1.069390673738402 (0.000198926% change)
- linmin: converged after 6 iterations.
- iteration 116: trace = 1.069388657714768 (0.000188521% change)
- linmin: converged after 6 iterations.
- iteration 117: trace = 1.069386731644227 (0.00018011% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 1.069384873730894 (0.000173736% change)
- linmin: converged after 5 iterations.
- iteration 119: trace = 1.069383062883039 (0.000169336% change)
- linmin: converged after 10 iterations.
- iteration 120: trace = 1.069381280066676 (0.000166715% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 1.069379509487148 (0.000165571% change)
- linmin: converged after 8 iterations.
- iteration 122: trace = 1.069377739525456 (0.000165513% change)
- linmin: converged after 6 iterations.
- iteration 123: trace = 1.069375963507896 (0.00016608% change)
- linmin: converged after 10 iterations.
- iteration 124: trace = 1.069374179731154 (0.000166806% change)
- linmin: converged after 5 iterations.
- iteration 125: trace = 1.069372391031961 (0.000167266% change)
- linmin: converged after 7 iterations.
- iteration 126: trace = 1.069370603907787 (0.000167119% change)
- linmin: converged after 10 iterations.
- iteration 127: trace = 1.069368827217261 (0.000166144% change)
- linmin: converged after 5 iterations.
- iteration 128: trace = 1.069367070674866 (0.00016426% change)
- linmin: converged after 6 iterations.
- iteration 129: trace = 1.069365343459912 (0.000161518% change)
- linmin: converged after 6 iterations.
- iteration 130: trace = 1.069363653232463 (0.000158059% change)
- linmin: converged after 6 iterations.
- iteration 131: trace = 1.06936200548704 (0.000154087% change)
- linmin: converged after 7 iterations.
- iteration 132: trace = 1.069360403300531 (0.000149827% change)
- linmin: converged after 14 iterations.
- iteration 133: trace = 1.069358847548523 (0.000145484% change)
- linmin: converged after 6 iterations.
- iteration 134: trace = 1.069357337356084 (0.000141224% change)
- linmin: converged after 7 iterations.
- iteration 135: trace = 1.069355870473734 (0.000137174% change)
- linmin: converged after 6 iterations.
- iteration 136: trace = 1.069354443947797 (0.000133401% change)
- linmin: converged after 8 iterations.
- iteration 137: trace = 1.069353054482242 (0.000129935% change)
- linmin: converged after 5 iterations.
- iteration 138: trace = 1.069351698944842 (0.000126762% change)
- linmin: converged after 8 iterations.
- iteration 139: trace = 1.069350374574078 (0.000123848% change)
- resetting CG direction...
- large trace change predicted (0.014546%)
- linmin: converged after 4 iterations.
- iteration 140: trace = 1.069194674078868 (0.0145613% change)
- linmin: converged after 3 iterations.
- iteration 141: trace = 1.069117229618983 (0.00724351% change)
- linmin: converged after 3 iterations.
- iteration 142: trace = 1.069075435411627 (0.0039093% change)
- linmin: converged after 4 iterations.
- iteration 143: trace = 1.069028118000609 (0.00442611% change)
- linmin: converged after 5 iterations.
- iteration 144: trace = 1.068963764327453 (0.00602001% change)
- linmin: converged after 5 iterations.
- iteration 145: trace = 1.068914031982284 (0.0046525% change)
- linmin: converged after 7 iterations.
- iteration 146: trace = 1.06885669529657 (0.00536416% change)
- linmin: converged after 6 iterations.
- iteration 147: trace = 1.068800655539407 (0.0052431% change)
- linmin: converged after 3 iterations.
- iteration 148: trace = 1.068757373421296 (0.00404968% change)
- linmin: converged after 5 iterations.
- iteration 149: trace = 1.06871741940429 (0.00373843% change)
- linmin: converged after 9 iterations.
- iteration 150: trace = 1.068678935993993 (0.00360096% change)
- linmin: converged after 6 iterations.
- iteration 151: trace = 1.068654694120156 (0.00226842% change)
- linmin: converged after 5 iterations.
- iteration 152: trace = 1.068642743934376 (0.00111825% change)
- linmin: converged after 5 iterations.
- iteration 153: trace = 1.068637179155169 (0.000520735% change)
- linmin: converged after 8 iterations.
- iteration 154: trace = 1.068633795993423 (0.000316587% change)
- linmin: converged after 8 iterations.
- iteration 155: trace = 1.068631062838858 (0.000255762% change)
- linmin: converged after 5 iterations.
- iteration 156: trace = 1.06862861063566 (0.000229472% change)
- linmin: converged after 7 iterations.
- iteration 157: trace = 1.068627264826065 (0.000125938% change)
- linmin: converged after 5 iterations.
- iteration 158: trace = 1.068626757620196 (4.74633e-05% change)
- linmin: converged after 4 iterations.
- iteration 159: trace = 1.068626630711401 (1.18759e-05% change)
- linmin: converged after 4 iterations.
- iteration 160: trace = 1.068626598200819 (3.04228e-06% change)
- linmin: converged after 8 iterations.
- iteration 161: trace = 1.068626583537483 (1.37217e-06% change)
- linmin: converged after 4 iterations.
- iteration 162: trace = 1.068626572382386 (1.04387e-06% change)
- linmin: converged after 3 iterations.
- iteration 163: trace = 1.068626562840985 (8.92866e-07% change)
- linmin: converged after 7 iterations.
- iteration 164: trace = 1.068626555549581 (6.82315e-07% change)
- linmin: converged after 15 iterations.
- iteration 165: trace = 1.068626551021941 (4.23688e-07% change)
- linmin: converged after 4 iterations.
- iteration 166: trace = 1.06862654726605 (3.51469e-07% change)
- linmin: converged after 4 iterations.
- iteration 167: trace = 1.068626545007675 (2.11334e-07% change)
- linmin: converged after 9 iterations.
- iteration 168: trace = 1.068626543631622 (1.28768e-07% change)
- linmin: converged after 5 iterations.
- iteration 169: trace = 1.068626542457055 (1.09914e-07% change)
- linmin: converged after 4 iterations.
- iteration 170: trace = 1.068626540775745 (1.57334e-07% change)
- large trace change predicted (3.15175e-07%)
- linmin: converged after 7 iterations.
- iteration 171: trace = 1.068626537407016 (3.15239e-07% change)
- linmin: converged after 4 iterations.
- iteration 172: trace = 1.068626533723195 (3.44725e-07% change)
- linmin: converged after 21 iterations.
- iteration 173: trace = 1.068626531663351 (1.92756e-07% change)
- linmin: converged after 12 iterations.
- iteration 174: trace = 1.068626530817167 (7.91843e-08% change)
- linmin: converged after 12 iterations.
- iteration 175: trace = 1.068626530497293 (2.99332e-08% change)
- linmin: converged after 7 iterations.
- iteration 176: trace = 1.068626530333551 (1.53227e-08% change)
- linmin: converged after 4 iterations.
- iteration 177: trace = 1.068626530258664 (7.00774e-09% change)
- linmin: converged after 6 iterations.
- iteration 178: trace = 1.068626530162968 (8.95508e-09% change)
- large trace change predicted (2.12929e-08%)
- linmin: converged after 4 iterations.
- iteration 179: trace = 1.068626529935186 (2.13153e-08% change)
- linmin: converged after 8 iterations.
- iteration 180: trace = 1.06862652955323 (3.57428e-08% change)
- linmin: converged after 5 iterations.
- iteration 181: trace = 1.068626528973315 (5.42673e-08% change)
- linmin: converged after 4 iterations.
- iteration 182: trace = 1.068626528427385 (5.10871e-08% change)
- linmin: converged after 5 iterations.
- iteration 183: trace = 1.06862652772693 (6.55472e-08% change)
- linmin: converged after 5 iterations.
- iteration 184: trace = 1.06862652690388 (7.70194e-08% change)
- linmin: converged after 3 iterations.
- iteration 185: trace = 1.068626526189199 (6.68785e-08% change)
- linmin: converged after 4 iterations.
- iteration 186: trace = 1.068626525702382 (4.55554e-08% change)
- linmin: converged after 9 iterations.
- iteration 187: trace = 1.068626525445897 (2.40013e-08% change)
- linmin: converged after 3 iterations.
- iteration 188: trace = 1.068626525378705 (6.28772e-09% change)
- linmin: converged after 4 iterations.
- iteration 189: trace = 1.068626525351078 (2.58526e-09% change)
- linmin: converged after 3 iterations.
- iteration 190: trace = 1.06862652533912 (1.11901e-09% change)
- linmin: converged after 3 iterations.
- iteration 191: trace = 1.068626525324242 (1.39231e-09% change)
- linmin: converged after 3 iterations.
- iteration 192: trace = 1.068626525309263 (1.4017e-09% change)
- linmin: converged after 4 iterations.
- iteration 193: trace = 1.068626525303099 (5.7679e-10% change)
- linmin: converged after 4 iterations.
- iteration 194: trace = 1.068626525300159 (2.7517e-10% change)
- linmin: converged after 5 iterations.
- iteration 195: trace = 1.068626525298999 (1.08505e-10% change)
- linmin: converged after 3 iterations.
- iteration 196: trace = 1.068626525298606 (3.68195e-11% change)
-Finished solving for bands 1 to 5 after 196 iterations.
-freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915
-elapsed time for k point: 1.4351816177368164
-solve_kpoint (0,0.4,0.4):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.09676373046218 (4.83164% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.082691277589466 (1.29137% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 1.079957260528795 (0.25284% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 1.07764773731734 (0.214082% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.076735253705281 (0.0847095% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 1.075213699012749 (0.141412% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.074492218765974 (0.0671236% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 1.074213739467549 (0.0259207% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 1.074138188251446 (0.00703341% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.074123932232067 (0.00132721% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.074120393735298 (0.000329432% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.074119608461603 (7.31086e-05% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 1.074119350205694 (2.40435e-05% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 1.074119193446577 (1.45942e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 1.074119086979259 (9.91206e-06% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 1.07411899846238 (8.24088e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.074118951624113 (4.36062e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 1.074118930569966 (1.96013e-06% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 1.074118922703944 (7.32323e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 1.074118920440504 (2.10725e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 1.074118919553628 (8.25677e-08% change)
- linmin: converged after 20 iterations.
- iteration 22: trace = 1.074118918883232 (6.24136e-08% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 1.074118918125842 (7.05127e-08% change)
- linmin: converged after 24 iterations.
- iteration 24: trace = 1.074118917274336 (7.92748e-08% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.074118916478545 (7.40878e-08% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.074118915076856 (1.30497e-07% change)
- large trace change predicted (3.47216e-07%)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.074118911347338 (3.47216e-07% change)
- large trace change predicted (1.06055e-06%)
- linmin: converged after 2 iterations.
- iteration 28: trace = 1.074118899955731 (1.06055e-06% change)
- large trace change predicted (3.74552e-06%)
- linmin: converged after 4 iterations.
- iteration 29: trace = 1.074118859726342 (3.74534e-06% change)
- large trace change predicted (2.30294e-05%)
- linmin: converged after 6 iterations.
- iteration 30: trace = 1.074118613396065 (2.29332e-05% change)
- near maximum in trace
- linmin: converged after 14 iterations.
- iteration 31: trace = 1.074108656646908 (0.000926974% change)
- linmin: converged after 7 iterations.
- iteration 32: trace = 1.074107966624208 (6.42414e-05% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 1.074107274939571 (6.43962e-05% change)
- linmin: converged after 6 iterations.
- iteration 34: trace = 1.074106574379339 (6.52226e-05% change)
- linmin: converged after 7 iterations.
- iteration 35: trace = 1.074105856059128 (6.68761e-05% change)
- linmin: converged after 6 iterations.
- iteration 36: trace = 1.074105113322936 (6.91493e-05% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 1.074104343007871 (7.17169e-05% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 1.074103545951054 (7.42067e-05% change)
- linmin: converged after 6 iterations.
- iteration 39: trace = 1.07410272682279 (7.62616e-05% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 1.074101893138382 (7.76169e-05% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 1.074101053725188 (7.81503e-05% change)
- linmin: converged after 7 iterations.
- iteration 42: trace = 1.074100217337326 (7.78687e-05% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 1.074099391966481 (7.6843e-05% change)
- linmin: converged after 6 iterations.
- iteration 44: trace = 1.074098584810139 (7.51473e-05% change)
- linmin: converged after 6 iterations.
- iteration 45: trace = 1.074097802433133 (7.28404e-05% change)
- linmin: converged after 5 iterations.
- iteration 46: trace = 1.074097050705479 (6.99869e-05% change)
- linmin: converged after 6 iterations.
- iteration 47: trace = 1.074096334430325 (6.66863e-05% change)
- linmin: converged after 5 iterations.
- iteration 48: trace = 1.07409565686185 (6.30827e-05% change)
- linmin: converged after 7 iterations.
- iteration 49: trace = 1.074095019383428 (5.93503e-05% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 1.07409442149858 (5.56641e-05% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 1.074093861118876 (5.21723e-05% change)
- linmin: converged after 8 iterations.
- iteration 52: trace = 1.074093335024875 (4.89803e-05% change)
- linmin: converged after 9 iterations.
- iteration 53: trace = 1.07409283939711 (4.61438e-05% change)
- linmin: converged after 6 iterations.
- iteration 54: trace = 1.074092370113571 (4.36912e-05% change)
- linmin: converged after 9 iterations.
- iteration 55: trace = 1.074091923256406 (4.16032e-05% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 1.074091495242604 (3.98489e-05% change)
- linmin: converged after 9 iterations.
- iteration 57: trace = 1.074091082941412 (3.8386e-05% change)
- linmin: converged after 5 iterations.
- iteration 58: trace = 1.074090683728918 (3.71675e-05% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 1.074090295505451 (3.61444e-05% change)
- linmin: converged after 5 iterations.
- iteration 60: trace = 1.074089916681102 (3.52693e-05% change)
- linmin: converged after 6 iterations.
- iteration 61: trace = 1.074089546094833 (3.45024e-05% change)
- linmin: converged after 6 iterations.
- iteration 62: trace = 1.074089182963636 (3.38083e-05% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 1.074088826791051 (3.31604e-05% change)
- linmin: converged after 6 iterations.
- iteration 64: trace = 1.074088477312062 (3.25373e-05% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 1.074088134417222 (3.19243e-05% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 1.07408779808815 (3.1313e-05% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 1.074087468362276 (3.06982e-05% change)
- linmin: converged after 5 iterations.
- iteration 68: trace = 1.074087145274952 (3.00802e-05% change)
- linmin: converged after 5 iterations.
- iteration 69: trace = 1.074086828846009 (2.94603e-05% change)
- resetting CG direction...
- large trace change predicted (0.00552372%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 1.074027493717414 (0.00552439% change)
- linmin: converged after 5 iterations.
- iteration 71: trace = 1.07398995781575 (0.00349493% change)
- linmin: converged after 5 iterations.
- iteration 72: trace = 1.073965807916534 (0.00224864% change)
- linmin: converged after 8 iterations.
- iteration 73: trace = 1.073953302254915 (0.00116444% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 1.073950631525306 (0.000248682% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 1.073949453542193 (0.000109687% change)
- linmin: converged after 6 iterations.
- iteration 76: trace = 1.073948843714901 (5.67836e-05% change)
- linmin: converged after 21 iterations.
- iteration 77: trace = 1.073948012424094 (7.74051e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 1.073947355572637 (6.11623e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 1.073947066424464 (2.69239e-05% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 1.073946952225013 (1.06336e-05% change)
- linmin: converged after 2 iterations.
- iteration 81: trace = 1.073946905475717 (4.35304e-06% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 1.073946876259188 (2.72048e-06% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 1.073946859382544 (1.57146e-06% change)
- linmin: converged after 4 iterations.
- iteration 84: trace = 1.073946850788527 (8.00227e-07% change)
- linmin: converged after 6 iterations.
- iteration 85: trace = 1.073946846427495 (4.06075e-07% change)
- linmin: converged after 25 iterations.
- iteration 86: trace = 1.073946843003072 (3.18863e-07% change)
- linmin: converged after 4 iterations.
- iteration 87: trace = 1.073946839409046 (3.34656e-07% change)
- large trace change predicted (7.27062e-07%)
- linmin: converged after 3 iterations.
- iteration 88: trace = 1.073946831600816 (7.27059e-07% change)
- large trace change predicted (1.48103e-06%)
- linmin: converged after 4 iterations.
- iteration 89: trace = 1.073946815695358 (1.48103e-06% change)
- large trace change predicted (4.37951e-06%)
- linmin: converged after 5 iterations.
- iteration 90: trace = 1.073946768662516 (4.37944e-06% change)
- linmin: converged after 6 iterations.
- iteration 91: trace = 1.073946679821678 (8.27237e-06% change)
- linmin: converged after 7 iterations.
- iteration 92: trace = 1.073946529008632 (1.40429e-05% change)
- linmin: converged after 5 iterations.
- iteration 93: trace = 1.07394636530593 (1.52431e-05% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 1.073946255251097 (1.02477e-05% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 1.073946149707093 (9.82768e-06% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 1.073946053608511 (8.94818e-06% change)
- linmin: converged after 6 iterations.
- iteration 97: trace = 1.073945952647669 (9.40092e-06% change)
- linmin: converged after 9 iterations.
- iteration 98: trace = 1.073945869385615 (7.75291e-06% change)
- linmin: converged after 4 iterations.
- iteration 99: trace = 1.073945843503251 (2.41003e-06% change)
- linmin: converged after 4 iterations.
- iteration 100: trace = 1.0739458373822 (5.69959e-07% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 1.073945836401789 (9.12906e-08% change)
- linmin: converged after 6 iterations.
- iteration 102: trace = 1.073945836058058 (3.20064e-08% change)
- linmin: converged after 5 iterations.
- iteration 103: trace = 1.073945835877834 (1.67814e-08% change)
- linmin: converged after 21 iterations.
- iteration 104: trace = 1.073945835763812 (1.06171e-08% change)
- linmin: converged after 7 iterations.
- iteration 105: trace = 1.073945835716336 (4.42069e-09% change)
- linmin: converged after 10 iterations.
- iteration 106: trace = 1.073945835701665 (1.36606e-09% change)
- linmin: converged after 3 iterations.
- iteration 107: trace = 1.073945835696708 (4.61624e-10% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 1.073945835694309 (2.23296e-10% change)
- linmin: converged after 13 iterations.
- iteration 109: trace = 1.073945835692663 (1.5333e-10% change)
- linmin: converged after 3 iterations.
- iteration 110: trace = 1.073945835691533 (1.05239e-10% change)
- linmin: converged after 3 iterations.
- iteration 111: trace = 1.073945835690725 (7.52385e-11% change)
-Finished solving for bands 1 to 5 after 111 iterations.
-freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786
-elapsed time for k point: 0.8135883808135986
-solve_kpoint (0,0.5,0.5):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.093863489470061 (5.33662% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.078476777688544 (1.4166% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.076328697155982 (0.199376% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.075208255595951 (0.104153% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.07503517157428 (0.016099% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.074955695782235 (0.00739313% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.074896058833362 (0.00554801% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 1.074864563428873 (0.00293013% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.074852338404324 (0.00113736% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.074850012942938 (0.000216352% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.074849426029419 (5.46042e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.074849271410158 (1.43852e-05% change)
- linmin: converged after 9 iterations.
- iteration 13: trace = 1.074849229292721 (3.91845e-06% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 1.074849215166149 (1.31428e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 1.074849211829465 (3.10433e-07% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 1.074849210719722 (1.03246e-07% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.074849209946279 (7.19582e-08% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 1.074849209005695 (8.75085e-08% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 1.074849207760994 (1.15802e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 1.074849206703752 (9.83619e-08% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 1.074849205562663 (1.06163e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 1.074849203559148 (1.864e-07% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 1.074849200235667 (3.09204e-07% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.074849195274801 (4.61541e-07% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.074849189777705 (5.11429e-07% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.074849181222386 (7.95955e-07% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 1.074849167022692 (1.32109e-06% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 1.074849153566981 (1.25187e-06% change)
- linmin: converged after 16 iterations.
- iteration 29: trace = 1.074849145742549 (7.27956e-07% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 1.074849142292259 (3.21002e-07% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 1.074849140247105 (1.90274e-07% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 1.07484913871434 (1.42603e-07% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 1.074849137906281 (7.51787e-08% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 1.074849137608582 (2.76969e-08% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 1.074849137533784 (6.9589e-09% change)
- linmin: converged after 2 iterations.
- iteration 36: trace = 1.074849137516846 (1.57591e-09% change)
- linmin: converged after 2 iterations.
- iteration 37: trace = 1.074849137512896 (3.67489e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 1.074849137511864 (9.60194e-11% change)
-Finished solving for bands 1 to 5 after 38 iterations.
-freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208
-elapsed time for k point: 0.2810788154602051
-solve_kpoint (0.05,0.55,0.5):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.078756946581757 (0.894499% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 1.075235337821099 (0.326984% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.073638839416679 (0.148589% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.073077825185615 (0.0522672% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.072780827427175 (0.027681% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.072586993276598 (0.01807% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.072447691945423 (0.0129883% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.07239326667108 (0.00507499% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.07236325167962 (0.00279892% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.072354631902956 (0.000803814% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.072350311724843 (0.000402869% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 1.072348215271241 (0.000195501% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.072347360434731 (7.97163e-05% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 1.072346902122047 (4.27392e-05% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 1.072346623483659 (2.5984e-05% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 1.072346159275199 (4.3289e-05% change)
- large trace change predicted (0.000101681%)
- linmin: converged after 5 iterations.
- iteration 17: trace = 1.072345068890038 (0.000101682% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 1.072342995658238 (0.000193336% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 1.072339903829155 (0.000288325% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 1.072336586509769 (0.000309354% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 1.072331067849422 (0.00051464% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 1.07232082224701 (0.000955456% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 1.072308842030553 (0.00111723% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 1.072300271286768 (0.000799283% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 1.072297170565835 (0.000289166% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 1.072296311606893 (8.01046e-05% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 1.072296078653345 (2.17247e-05% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 1.072296014168777 (6.01369e-06% change)
- linmin: converged after 24 iterations.
- iteration 29: trace = 1.072295982383621 (2.96421e-06% change)
- linmin: converged after 15 iterations.
- iteration 30: trace = 1.072295961925376 (1.90789e-06% change)
- linmin: converged after 7 iterations.
- iteration 31: trace = 1.072295950654601 (1.05109e-06% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 1.072295945180989 (5.10457e-07% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 1.072295942506052 (2.49459e-07% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 1.072295940839705 (1.554e-07% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 1.072295940001716 (7.8149e-08% change)
- linmin: converged after 2 iterations.
- iteration 36: trace = 1.072295939666597 (3.12525e-08% change)
- linmin: converged after 2 iterations.
- iteration 37: trace = 1.072295939534582 (1.23115e-08% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 1.072295939489791 (4.17712e-09% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 1.072295939475879 (1.29736e-09% change)
- linmin: converged after 2 iterations.
- iteration 40: trace = 1.072295939471375 (4.2005e-10% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 1.072295939468839 (2.36479e-10% change)
- linmin: converged after 2 iterations.
- iteration 42: trace = 1.072295939464564 (3.987e-10% change)
- large trace change predicted (1.11332e-09%)
- linmin: converged after 2 iterations.
- iteration 43: trace = 1.072295939452623 (1.1136e-09% change)
- large trace change predicted (2.51363e-09%)
- linmin: converged after 2 iterations.
- iteration 44: trace = 1.072295939425672 (2.5134e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 1.072295939386053 (3.69472e-09% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 1.072295939340153 (4.28055e-09% change)
- linmin: converged after 2 iterations.
- iteration 47: trace = 1.072295939279222 (5.68236e-09% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 1.072295939194636 (7.88826e-09% change)
- linmin: converged after 14 iterations.
- iteration 49: trace = 1.072295939101619 (8.67454e-09% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 1.072295939034332 (6.27509e-09% change)
- linmin: converged after 2 iterations.
- iteration 51: trace = 1.072295939004893 (2.74541e-09% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 1.072295938995445 (8.81141e-10% change)
- linmin: converged after 9 iterations.
- iteration 53: trace = 1.072295938992633 (2.62197e-10% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 1.072295938991753 (8.20841e-11% change)
-Finished solving for bands 1 to 5 after 54 iterations.
-freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972
-elapsed time for k point: 0.39804744720458984
-solve_kpoint (0.1,0.6,0.5):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.073401218506954 (0.802321% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 1.070911358186742 (0.232229% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.069941901356453 (0.0905673% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.069553512469482 (0.0363066% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.069331087282139 (0.0207982% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.069162619782136 (0.0157557% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.06905313998237 (0.0102403% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.069016273147659 (0.00344861% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.068993109651654 (0.00216683% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.068984047122717 (0.000847767% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.06897880030921 (0.000490824% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.068976671400316 (0.000199154% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.068976061675412 (5.70382e-05% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 1.068975835503111 (2.11578e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 1.068975752616184 (7.75386e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 1.068975691300615 (5.73592e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 1.068975611585199 (7.45718e-06% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 1.068975504394132 (1.00275e-05% change)
- linmin: converged after 13 iterations.
- iteration 19: trace = 1.068975371946158 (1.23902e-05% change)
- linmin: converged after 15 iterations.
- iteration 20: trace = 1.068975238400153 (1.24929e-05% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 1.06897500900797 (2.14591e-05% change)
- large trace change predicted (5.31033e-05%)
- linmin: converged after 4 iterations.
- iteration 22: trace = 1.06897444137869 (5.31003e-05% change)
- large trace change predicted (0.000113315%)
- linmin: converged after 3 iterations.
- iteration 23: trace = 1.068973230351379 (0.000113289% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 1.06897161225228 (0.00015137% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 1.068970673722614 (8.77975e-05% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 1.068970296062492 (3.53293e-05% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 1.068970144206493 (1.42058e-05% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 1.068970064617742 (7.44537e-06% change)
- linmin: converged after 8 iterations.
- iteration 29: trace = 1.068970000607836 (5.988e-06% change)
- linmin: converged after 16 iterations.
- iteration 30: trace = 1.068969962460986 (3.56856e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.068969945599901 (1.57732e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 1.068969938463749 (6.67573e-07% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 1.068969934705131 (3.51611e-07% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 1.068969932325581 (2.22602e-07% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 1.068969931392087 (8.73265e-08% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 1.068969931132231 (2.4309e-08% change)
- linmin: converged after 2 iterations.
- iteration 37: trace = 1.068969931062231 (6.54836e-09% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 1.068969931043933 (1.71176e-09% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 1.068969931038534 (5.05088e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 1.06896993103669 (1.72489e-10% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 1.068969931035931 (7.09773e-11% change)
-Finished solving for bands 1 to 5 after 41 iterations.
-freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207
-elapsed time for k point: 0.30283522605895996
-solve_kpoint (0.15,0.65,0.5):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.07210087104172 (0.745891% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.069747625154363 (0.21974% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.068703623581534 (0.0976409% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.06787537155338 (0.0775307% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.067259421669873 (0.0576966% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 1.066744514113844 (0.0482574% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.066542840030842 (0.0189074% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.066494016835053 (0.00457781% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.066464593745213 (0.0027589% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.066451587651854 (0.00121956% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.066443672010177 (0.000742244% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.066440721230631 (0.000276694% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.066439849497521 (8.17423e-05% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 1.066439375236251 (4.44715e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 1.066439009933316 (3.42545e-05% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 1.066438547210227 (4.33896e-05% change)
- linmin: converged after 14 iterations.
- iteration 17: trace = 1.066438083387294 (4.34927e-05% change)
- linmin: converged after 15 iterations.
- iteration 18: trace = 1.066437660409854 (3.96626e-05% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 1.066437091992715 (5.33006e-05% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 1.066436003254613 (0.000102091% change)
- large trace change predicted (0.000276028%)
- linmin: converged after 5 iterations.
- iteration 21: trace = 1.06643306101055 (0.000275895% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 1.066427934770839 (0.000480691% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 1.06642432669396 (0.000338334% change)
- linmin: converged after 13 iterations.
- iteration 24: trace = 1.066422960619856 (0.000128099% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 1.066422499826517 (4.32093e-05% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 1.066422186812465 (2.93518e-05% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 1.06642189052926 (2.77829e-05% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 1.066421685763602 (1.92012e-05% change)
- linmin: converged after 15 iterations.
- iteration 29: trace = 1.066421590549711 (8.92835e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 1.066421557709065 (3.07952e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.066421543618788 (1.32127e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 1.066421537040994 (6.1681e-07% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 1.06642153395643 (2.89244e-07% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 1.066421532545999 (1.32258e-07% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 1.066421532098645 (4.19491e-08% change)
- linmin: converged after 2 iterations.
- iteration 36: trace = 1.066421531981016 (1.10303e-08% change)
- linmin: converged after 2 iterations.
- iteration 37: trace = 1.066421531947826 (3.11233e-09% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 1.066421531934552 (1.24475e-09% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 1.066421531923714 (1.01625e-09% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 1.066421531913866 (9.23432e-10% change)
- linmin: converged after 5 iterations.
- iteration 41: trace = 1.066421531908594 (4.94427e-10% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 1.066421531906733 (1.74505e-10% change)
- linmin: converged after 6 iterations.
- iteration 43: trace = 1.06642153190616 (5.37402e-11% change)
-Finished solving for bands 1 to 5 after 43 iterations.
-freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859
-elapsed time for k point: 0.3203012943267822
-solve_kpoint (0.2,0.7,0.5):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.069785773582439 (0.695776% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.067527570063895 (0.211312% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.066558947063649 (0.0907764% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.065685964046792 (0.0818839% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.065178396934747 (0.0476396% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.064838989620205 (0.031869% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.064736335048867 (0.00964085% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.064718062404295 (0.00171618% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.064709443693912 (0.000809486% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.064705784333718 (0.000343696% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 1.064703064045394 (0.000255497% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.064701652732799 (0.000132555% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.06470118218853 (4.4195e-05% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 1.064700943603852 (2.24086e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 1.064700802693302 (1.32348e-05% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 1.064700694078543 (1.02014e-05% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.064700636606554 (5.39795e-06% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 1.064700617115639 (1.83065e-06% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 1.064700610391738 (6.3153e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 1.064700607863227 (2.37486e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 1.064700605633887 (2.09387e-07% change)
- large trace change predicted (4.79923e-07%)
- linmin: converged after 2 iterations.
- iteration 22: trace = 1.064700600524144 (4.79923e-07% change)
- large trace change predicted (1.42414e-06%)
- linmin: converged after 12 iterations.
- iteration 23: trace = 1.064700585361344 (1.42414e-06% change)
- large trace change predicted (2.9795e-06%)
- linmin: converged after 3 iterations.
- iteration 24: trace = 1.064700553639115 (2.97945e-06% change)
- linmin: converged after 20 iterations.
- iteration 25: trace = 1.06470052678614 (2.52212e-06% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.064700508730731 (1.69582e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.064700490073184 (1.75238e-06% change)
- linmin: converged after 24 iterations.
- iteration 28: trace = 1.064700466708129 (2.19452e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 1.064700446691999 (1.87998e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 1.064700438159564 (8.01393e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.064700434712853 (3.23726e-07% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 1.064700432935417 (1.66942e-07% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 1.064700431874728 (9.96233e-08% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 1.064700431313315 (5.27297e-08% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 1.064700431122884 (1.78859e-08% change)
- linmin: converged after 2 iterations.
- iteration 36: trace = 1.064700431069199 (5.04225e-09% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 1.064700431049591 (1.84159e-09% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 1.064700431037441 (1.14119e-09% change)
- linmin: converged after 6 iterations.
- iteration 39: trace = 1.064700431026596 (1.01859e-09% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 1.064700431020414 (5.80648e-10% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 1.064700431018627 (1.67863e-10% change)
- linmin: converged after 2 iterations.
- iteration 42: trace = 1.064700431018219 (3.82692e-11% change)
-Finished solving for bands 1 to 5 after 42 iterations.
-freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019
-elapsed time for k point: 0.31101226806640625
-solve_kpoint (0.25,0.75,0.5):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.07102135025323 (0.625217% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.069008626705355 (0.188102% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.068158244968759 (0.0795803% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.067197593263683 (0.0899758% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.066544127991008 (0.0612506% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 1.065958659747478 (0.054909% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.065750318740433 (0.0195469% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.065675510628551 (0.00701954% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.065611170312027 (0.0060377% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.065570512593531 (0.00381551% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.065544557362741 (0.00243584% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.065536856806759 (0.00072269% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.065534821684941 (0.000190995% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 1.06553386588685 (8.97013e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 1.065533310006943 (5.21692e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 1.065532898639761 (3.86067e-05% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 1.065532683273434 (2.02121e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 1.065532562793897 (1.1307e-05% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 1.06553241194823 (1.41568e-05% change)
- large trace change predicted (2.83328e-05%)
- linmin: converged after 5 iterations.
- iteration 20: trace = 1.065532110048137 (2.83333e-05% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 1.065531537829716 (5.37026e-05% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 1.065530957301291 (5.44825e-05% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 1.065530503251296 (4.26126e-05% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 1.065529848637876 (6.14355e-05% change)
- large trace change predicted (0.000173392%)
- linmin: converged after 7 iterations.
- iteration 25: trace = 1.065528002339836 (0.000173275% change)
- large trace change predicted (0.000909711%)
- linmin: converged after 4 iterations.
- iteration 26: trace = 1.065518574727253 (0.000884787% change)
- large trace change predicted (0.00393925%)
- linmin: converged after 8 iterations.
- iteration 27: trace = 1.065486645930534 (0.00299659% change)
- linmin: converged after 7 iterations.
- iteration 28: trace = 1.065452554312377 (0.00319968% change)
- linmin: converged after 15 iterations.
- iteration 29: trace = 1.065430694062877 (0.00205175% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 1.065419520873003 (0.00104871% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 1.065412511941131 (0.000657859% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 1.065407624927191 (0.000458698% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 1.065405106256101 (0.000236405% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 1.065404017239764 (0.000102216% change)
- linmin: converged after 7 iterations.
- iteration 35: trace = 1.065403611191079 (3.81122e-05% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 1.065403441828039 (1.58966e-05% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 1.065403323931502 (1.10659e-05% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 1.065403209114892 (1.07768e-05% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 1.065403107364856 (9.55038e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 1.065403054387149 (4.97255e-06% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 1.065403036014426 (1.72449e-06% change)
- linmin: converged after 6 iterations.
- iteration 42: trace = 1.065403029074995 (6.51343e-07% change)
- linmin: converged after 2 iterations.
- iteration 43: trace = 1.065403024643697 (4.15927e-07% change)
- linmin: converged after 2 iterations.
- iteration 44: trace = 1.065403021191505 (3.24027e-07% change)
- linmin: converged after 2 iterations.
- iteration 45: trace = 1.065403018975985 (2.07951e-07% change)
- linmin: converged after 2 iterations.
- iteration 46: trace = 1.065403018005738 (9.10685e-08% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 1.065403017543515 (4.33848e-08% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 1.065403017076432 (4.3841e-08% change)
- large trace change predicted (8.98844e-08%)
- linmin: converged after 2 iterations.
- iteration 49: trace = 1.065403016118797 (8.98848e-08% change)
- large trace change predicted (2.34693e-07%)
- linmin: converged after 2 iterations.
- iteration 50: trace = 1.065403013618366 (2.34693e-07% change)
- large trace change predicted (5.60917e-07%)
- linmin: converged after 3 iterations.
- iteration 51: trace = 1.065403007642306 (5.6092e-07% change)
- linmin: converged after 17 iterations.
- iteration 52: trace = 1.065402998322922 (8.74729e-07% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 1.065402986266862 (1.1316e-06% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 1.065402969178449 (1.60394e-06% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 1.065402943674205 (2.39386e-06% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 1.065402909801809 (3.1793e-06% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 1.0654028805448 (2.7461e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 1.065402867306225 (1.24259e-06% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 1.065402862588771 (4.42786e-07% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 1.065402860542757 (1.92041e-07% change)
- linmin: converged after 2 iterations.
- iteration 61: trace = 1.065402859235994 (1.22654e-07% change)
- linmin: converged after 2 iterations.
- iteration 62: trace = 1.065402858140702 (1.02805e-07% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 1.065402857385879 (7.08485e-08% change)
- linmin: converged after 2 iterations.
- iteration 64: trace = 1.065402857037139 (3.27332e-08% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 1.065402856879915 (1.47573e-08% change)
- linmin: converged after 12 iterations.
- iteration 66: trace = 1.065402856783426 (9.05656e-09% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 1.06540285669882 (7.94121e-09% change)
- linmin: converged after 2 iterations.
- iteration 68: trace = 1.065402856628581 (6.59277e-09% change)
- linmin: converged after 5 iterations.
- iteration 69: trace = 1.065402856591345 (3.49495e-09% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 70: trace = 1.065402856578412 (1.21395e-09% change)
- linmin: converged after 2 iterations.
- iteration 71: trace = 1.065402856572634 (5.42293e-10% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 1.065402856570871 (1.65481e-10% change)
- linmin: converged after 2 iterations.
- iteration 73: trace = 1.065402856570094 (7.29448e-11% change)
-Finished solving for bands 1 to 5 after 73 iterations.
-freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056
-elapsed time for k point: 0.5364253520965576
-solve_kpoint (0.275,0.75,0.475):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.065652986634801 (0.504169% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 1.063445114738671 (0.2074% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.062314064658214 (0.106414% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 1.060800078337779 (0.142619% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 1.059864885140574 (0.0881981% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 1.058934077527141 (0.0878618% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.058590167425031 (0.0324823% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.058340293631423 (0.0236072% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 1.058044369944337 (0.027965% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.057844196498605 (0.018921% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.057733299053829 (0.0104839% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.05768688610645 (0.00438806% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.057643718296448 (0.00408142% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 1.057601094515691 (0.00403015% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 1.057574169318424 (0.00254591% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 1.057560843562136 (0.00126004% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 1.057554897779985 (0.000562218% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 1.057550493140094 (0.000416494% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 1.0575476220046 (0.00027149% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 1.057546213280055 (0.000133207% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 1.057545647266149 (5.35214e-05% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 1.057545445060972 (1.91202e-05% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 1.05754534645965 (9.3236e-06% change)
- linmin: converged after 16 iterations.
- iteration 24: trace = 1.057545294682108 (4.89601e-06% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.057545271741688 (2.16921e-06% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.057545262910941 (8.35023e-07% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.057545260634137 (2.15291e-07% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 1.057545259834002 (7.56597e-08% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 1.057545259398525 (4.11781e-08% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 1.05754525910819 (2.74536e-08% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.057545258933646 (1.65047e-08% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 1.057545258873737 (5.66485e-09% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 1.057545258854841 (1.78684e-09% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 1.057545258846103 (8.26181e-10% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 1.057545258839637 (6.11473e-10% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 1.057545258833266 (6.02382e-10% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 1.05754525882868 (4.33677e-10% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 1.0575452588261 (2.43934e-10% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 1.057545258824424 (1.58501e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 1.05754525882298 (1.36559e-10% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 1.057545258821918 (1.00446e-10% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 1.057545258821419 (4.71365e-11% change)
-Finished solving for bands 1 to 5 after 42 iterations.
-freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199
-elapsed time for k point: 0.313706636428833
-solve_kpoint (0.3,0.75,0.45):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.051264386853347 (0.453577% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.049735266940344 (0.145561% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.049264550979229 (0.0448515% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.048963507822213 (0.028695% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.048842772219768 (0.0115107% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.048772455329971 (0.00670446% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.048748914239769 (0.00224466% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.048744582091003 (0.000413079% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 1.048741973701245 (0.000248716% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.048740250692929 (0.000164293% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 1.048738772995067 (0.000140902% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 1.048738138397404 (6.05106e-05% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 1.048737951057083 (1.78634e-05% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 1.048737879547407 (6.81864e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 1.048737847303642 (3.07453e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 1.048737823461936 (2.27337e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.048737805857724 (1.67861e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 1.048737790475252 (1.46676e-06% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 1.048737774176588 (1.55412e-06% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 1.048737760567202 (1.29769e-06% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 1.04873775188753 (8.2763e-07% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 1.048737748311007 (3.41031e-07% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 1.048737746988585 (1.26097e-07% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.04873774641459 (5.4732e-08% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.048737746162668 (2.40215e-08% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.048737746020623 (1.35444e-08% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 1.048737745965866 (5.22115e-09% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 1.048737745951454 (1.37423e-09% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 1.048737745947921 (3.36877e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 1.048737745947218 (6.70535e-11% change)
-Finished solving for bands 1 to 5 after 30 iterations.
-freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052
-elapsed time for k point: 0.22289752960205078
-solve_kpoint (0.325,0.75,0.425):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.043730320367076 (0.402906% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.042615065363816 (0.10691% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.042310395155777 (0.029226% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.042172278533015 (0.0132519% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.042115497545387 (0.00544848% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.042085473330465 (0.00288112% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.042070524368616 (0.00143453% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.042066548612395 (0.000381525% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.04206288704744 (0.000351376% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 1.042059736967639 (0.000302293% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.042056939339058 (0.000268471% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 1.042055775662505 (0.000111671% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 1.042055457699164 (3.05131e-05% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 1.042055355980333 (9.76136e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 1.042055322293884 (3.23269e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 1.04205530254784 (1.89491e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.042055285398356 (1.64574e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 1.042055265630027 (1.89705e-06% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 1.042055241138577 (2.3503e-06% change)
- linmin: converged after 24 iterations.
- iteration 20: trace = 1.042055220583108 (1.97259e-06% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 1.042055207018138 (1.30175e-06% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 1.042055201090034 (5.68886e-07% change)
- linmin: converged after 28 iterations.
- iteration 23: trace = 1.042055199094496 (1.915e-07% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.04205519837725 (6.88299e-08% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.042055198125168 (2.41909e-08% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 1.042055197991547 (1.28228e-08% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.042055197924895 (6.39625e-09% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 1.04205519790092 (2.30075e-09% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 1.042055197891545 (8.99638e-10% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 1.042055197887335 (4.04006e-10% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.042055197884501 (2.71937e-10% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 1.04205519788275 (1.6808e-10% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 1.042055197882125 (5.9919e-11% change)
-Finished solving for bands 1 to 5 after 33 iterations.
-freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391
-elapsed time for k point: 0.24512934684753418
-solve_kpoint (0.35,0.75,0.4):
-Solving for bands 1 to 5...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.040583967142476 (0.367529% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.039722865444434 (0.082786% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.03950165624003 (0.021278% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.039430647296617 (0.00683129% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.039402550983523 (0.00270308% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 1.039389236782683 (0.00128096% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.039377840080219 (0.00109649% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.039372508607764 (0.00051295% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.039365669584023 (0.000657998% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 1.039358797682128 (0.000661165% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.039351522033653 (0.000700016% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 1.039347743030244 (0.000363593% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.039346603568429 (0.000109632% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 1.039346252826974 (3.37463e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 1.039346151663282 (9.7334e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 1.039346101166326 (4.85853e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 1.039346056762944 (4.27224e-06% change)
- linmin: converged after 31 iterations.
- iteration 18: trace = 1.039346002477097 (5.22308e-06% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 1.039345931774661 (6.80259e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 1.039345863606865 (6.55872e-06% change)
- linmin: converged after 14 iterations.
- iteration 21: trace = 1.039345797360606 (6.37384e-06% change)
- linmin: converged after 21 iterations.
- iteration 22: trace = 1.039345749422763 (4.61231e-06% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 1.039345724079952 (2.43834e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 1.039345709972818 (1.35731e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 1.039345701605029 (8.05102e-07% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.039345695151119 (6.20959e-07% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.039345691963401 (3.06704e-07% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 1.039345690769051 (1.14914e-07% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 1.039345690283833 (4.6685e-08% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 1.039345690103328 (1.73671e-08% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.039345690033778 (6.69177e-09% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 1.039345690011562 (2.13744e-09% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 1.039345690005514 (5.81888e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 1.039345690002439 (2.95911e-10% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 1.039345689999085 (3.2268e-10% change)
- linmin: converged after 6 iterations.
- iteration 36: trace = 1.039345689993938 (4.95258e-10% change)
- linmin: converged after 15 iterations.
- iteration 37: trace = 1.039345689988247 (5.47556e-10% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 1.039345689985424 (2.71578e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 1.039345689984557 (8.34473e-11% change)
-Finished solving for bands 1 to 5 after 39 iterations.
-freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376
-elapsed time for k point: 0.28920698165893555
-solve_kpoint (0.375,0.75,0.375):
-Solving for bands 1 to 5...
- linmin: converged after 4 iterations.
- iteration 1: trace = 1.042607161720726 (0.34652% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 1.041876242539784 (0.0701295% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 1.041689793083082 (0.0178971% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.041641147667703 (0.00466997% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.041621655682537 (0.00187129% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 1.041610029145236 (0.0011162% change)
- large trace change predicted (0.0025014%)
- linmin: converged after 6 iterations.
- iteration 7: trace = 1.041583957214329 (0.00250307% change)
- linmin: converged after 7 iterations.
- iteration 8: trace = 1.041547309522134 (0.00351852% change)
- large trace change predicted (0.00868818%)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.041457030683444 (0.00866814% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 1.041334060955939 (0.0118082% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 1.041164698683955 (0.0162653% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.041009772944854 (0.0148811% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.040930951209935 (0.00757195% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 1.040898073108036 (0.00315858% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 1.040888096987886 (0.000958419% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 1.040884173753795 (0.000376913% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 1.040881857294983 (0.000222547% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 1.040880129419306 (0.000166001% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 1.040878846929652 (0.000123212% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 1.040878282104791 (5.42642e-05% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 1.040878051081422 (2.2195e-05% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 1.040877952535579 (9.46757e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 1.040877913823631 (3.71916e-06% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.040877896748253 (1.64048e-06% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.04087788840269 (8.01781e-07% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 1.040877879210204 (8.83147e-07% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 1.040877861806173 (1.67205e-06% change)
- linmin: converged after 17 iterations.
- iteration 28: trace = 1.040877831116783 (2.94841e-06% change)
- linmin: converged after 9 iterations.
- iteration 29: trace = 1.040877780705241 (4.84318e-06% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 1.040877720799236 (5.75534e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.040877666373354 (5.22885e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 1.040877636834854 (2.83785e-06% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 1.040877628021553 (8.46718e-07% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 1.040877624968494 (2.93316e-07% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 1.04087762344881 (1.46e-07% change)
- linmin: converged after 2 iterations.
- iteration 36: trace = 1.040877622408118 (9.99822e-08% change)
- linmin: converged after 2 iterations.
- iteration 37: trace = 1.040877621570122 (8.05085e-08% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 1.040877621105957 (4.45937e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 1.040877620899647 (1.98207e-08% change)
- linmin: converged after 2 iterations.
- iteration 40: trace = 1.040877620810261 (8.58759e-09% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 1.04087762076838 (4.0236e-09% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 1.040877620742673 (2.46976e-09% change)
- linmin: converged after 6 iterations.
- iteration 43: trace = 1.040877620722479 (1.94012e-09% change)
- linmin: converged after 2 iterations.
- iteration 44: trace = 1.040877620697877 (2.36357e-09% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 1.040877620655518 (4.0695e-09% change)
- large trace change predicted (8.31677e-09%)
- linmin: converged after 5 iterations.
- iteration 46: trace = 1.04087762056895 (8.3169e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 1.040877620412684 (1.50129e-08% change)
- linmin: converged after 6 iterations.
- iteration 48: trace = 1.040877620260937 (1.45787e-08% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 1.040877620187645 (7.04135e-09% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 1.040877620163346 (2.33449e-09% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 1.040877620156023 (7.03523e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 1.040877620153321 (2.59616e-10% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 1.040877620151859 (1.40389e-10% change)
- linmin: converged after 6 iterations.
- iteration 54: trace = 1.040877620150959 (8.65244e-11% change)
-Finished solving for bands 1 to 5 after 54 iterations.
-freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264
-Felapsed time for k point: 0.39992833137512207
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905434 at Vector3<0.25, 0.75, 0.5>
-Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080591 at Vector3<0.3, 0.75, 0.45>
-Band 3 range: 0.44237076681729864 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254649 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.44355516512198084 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898843 at Vector3<0.0, 0.0, 0.0>
-Band 5 range: 0.5030135895148895 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926983 at Vector3<0.0, 0.0, 0.0>
-Gap from band 2 (0.3967658014080591) to band 3 (0.44237076681729864), 10.869497799550526%
-total elapsed time for run: 10.62076735496521
-done
-/tmp/meepg15Lzl/test_diamond-0: 10.63s
-
-/tmp/meepg15Lzl/test_epsilon_input_file-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
-Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects)
-read in 32x32x1 epsilon-input-file "/build/reproducible-path/meep-1.29.0/python/tests/data/eps_input_file_test.h5"
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0022139549255371094
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 14 iterations.
- iteration 1: trace = 15.01049802134615 (194.322% change)
- linmin: converged after 11 iterations.
- iteration 2: trace = 6.706692165729402 (76.4722% change)
- linmin: converged after 7 iterations.
- iteration 3: trace = 5.931553794724423 (12.2665% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 5.66263534197199 (4.63885% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.52737228970616 (2.41757% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 5.47481726468407 (0.955356% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.45264771076122 (0.405758% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.443329006331453 (0.171049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.437411735012713 (0.108766% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.434223793409262 (0.058647% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.432629201927889 (0.0293478% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.431266964497161 (0.0250782% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.430129964014599 (0.0209365% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 5.428352252894501 (0.0327433% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.425410096349268 (0.0542145% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.421476783206287 (0.0725243% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.418133499341883 (0.0616864% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.416179004384954 (0.0360797% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.415183619213011 (0.0183797% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.414790413232867 (0.00726144% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.414658533289126 (0.00243558% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.414605098261726 (0.000986864% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.41457978258746 (0.000467545% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.414557159787791 (0.000417814% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 5.414537709366753 (0.000359225% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.414526431428378 (0.00020829% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.41451605909779 (0.000191565% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.414506000595718 (0.000185769% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.41449557958566 (0.000192465% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.41448635782213 (0.000170316% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.414478585160106 (0.000143553% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 5.414473688675684 (9.04332e-05% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.414471810062541 (3.46961e-05% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 5.414471116517078 (1.28091e-05% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.414470893896504 (4.11158e-06% change)
- linmin: converged after 2 iterations.
- iteration 36: trace = 5.414470830684592 (1.16746e-06% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.414470802007637 (5.29635e-07% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.414470781361689 (3.81311e-07% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.414470762077194 (3.56166e-07% change)
- linmin: converged after 2 iterations.
- iteration 40: trace = 5.414470741386276 (3.82141e-07% change)
- linmin: converged after 2 iterations.
- iteration 41: trace = 5.414470722667651 (3.45715e-07% change)
- linmin: converged after 2 iterations.
- iteration 42: trace = 5.414470706127513 (3.0548e-07% change)
- linmin: converged after 2 iterations.
- iteration 43: trace = 5.414470693366219 (2.35689e-07% change)
- linmin: converged after 2 iterations.
- iteration 44: trace = 5.414470683200175 (1.87757e-07% change)
- linmin: converged after 2 iterations.
- iteration 45: trace = 5.414470674912629 (1.53063e-07% change)
- linmin: converged after 2 iterations.
- iteration 46: trace = 5.414470669970523 (9.12759e-08% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.414470667695273 (4.20217e-08% change)
- linmin: converged after 2 iterations.
- iteration 48: trace = 5.414470666815693 (1.6245e-08% change)
- linmin: converged after 2 iterations.
- iteration 49: trace = 5.414470666454864 (6.66415e-09% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 5.414470666309406 (2.68647e-09% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.414470666257172 (9.64723e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.414470666225634 (5.82466e-10% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.414470666199085 (4.90342e-10% change)
- linmin: converged after 5 iterations.
- iteration 54: trace = 5.414470666173619 (4.70329e-10% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.414470666149859 (4.38818e-10% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.414470666128734 (3.90164e-10% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.414470666110477 (3.37196e-10% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.414470666093905 (3.06062e-10% change)
- linmin: converged after 2 iterations.
- iteration 59: trace = 5.41447066608077 (2.42596e-10% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 5.41447066607217 (1.58821e-10% change)
- linmin: converged after 2 iterations.
- iteration 61: trace = 5.414470666068269 (7.20619e-11% change)
-Finished solving for bands 2 to 8 after 61 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475
-elapsed time for k point: 0.1703956127166748
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.414034200818929 (0.770067% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.394129086431263 (0.368335% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.387838054235908 (0.116695% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.38573302126024 (0.0390777% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.385123764190084 (0.0113131% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.384850308348899 (0.00507812% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.384742385265687 (0.00200422% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.384707331033515 (0.000650994% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.384697125432801 (0.00018953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.384694738826758 (4.4322e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.384693738418337 (1.85787e-05% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.384693341474321 (7.37171e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.384693264290627 (1.43339e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.384693236314638 (5.19547e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.384693227539163 (1.62971e-07% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.38469322265734 (9.06611e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.384693220298983 (4.37974e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.384693219444982 (1.58598e-08% change)
- linmin: converged after 17 iterations.
- iteration 19: trace = 5.384693219150675 (5.46562e-09% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.384693219100485 (9.32088e-10% change)
- linmin: converged after 13 iterations.
- iteration 21: trace = 5.384693219085565 (2.77075e-10% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.384693219081496 (7.55613e-11% change)
-Finished solving for bands 1 to 8 after 22 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516
-elapsed time for k point: 0.07570385932922363
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.35566270802623 (0.460045% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.347222135070107 (0.157725% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.345410979037556 (0.0338767% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.344984997322681 (0.00796943% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.34487907677925 (0.0019817% change)
- linmin: converged after 9 iterations.
- iteration 6: trace = 5.344849146440742 (0.000559983% change)
- linmin: converged after 19 iterations.
- iteration 7: trace = 5.34483511527354 (0.000262518% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.344829856084553 (9.83976e-05% change)
- linmin: converged after 7 iterations.
- iteration 9: trace = 5.344828194804125 (3.1082e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.344827781913664 (7.72505e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.344827673972557 (2.01954e-06% change)
- linmin: converged after 21 iterations.
- iteration 12: trace = 5.344827628371221 (8.53186e-07% change)
- linmin: converged after 7 iterations.
- iteration 13: trace = 5.344827617785631 (1.98053e-07% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.34482761452396 (6.10248e-08% change)
- linmin: converged after 29 iterations.
- iteration 15: trace = 5.344827613901648 (1.16433e-08% change)
- linmin: converged after 21 iterations.
- iteration 16: trace = 5.344827613761418 (2.62366e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.344827613731027 (5.68602e-10% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.344827613719941 (2.0742e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.344827613715934 (7.49783e-11% change)
-Finished solving for bands 1 to 8 after 19 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644
-elapsed time for k point: 0.06631970405578613
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.340457320228623 (0.319238% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.334738355255368 (0.107145% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.333227635064889 (0.0283226% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.332794678919415 (0.00811842% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.332637699662876 (0.0029437% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.332576391911257 (0.00114968% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.332547153504841 (0.000548299% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.332540332683702 (0.000127909% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.332539070811759 (2.36636e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.33253886203948 (3.91506e-06% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.332538810551382 (9.65546e-07% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.33253879005739 (3.8432e-07% change)
- linmin: converged after 8 iterations.
- iteration 13: trace = 5.332538782348803 (1.44558e-07% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.332538778533806 (7.15419e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.332538777162949 (2.57074e-08% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.332538776747995 (7.78154e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.332538776643066 (1.96772e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.332538776603643 (7.39286e-10% change)
- linmin: converged after 10 iterations.
- iteration 19: trace = 5.332538776587452 (3.03636e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.332538776581439 (1.1276e-10% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.332538776580063 (2.57999e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856
-elapsed time for k point: 0.07248473167419434
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.363396432905374 (0.284485% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.356814965977621 (0.122786% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.354076997915648 (0.0511249% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.352894701732656 (0.0220846% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.35244060041008 (0.00848365% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.352259473036305 (0.00338407% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.352189105551878 (0.00131473% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.352168902977461 (0.000377464% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.352160538189612 (0.000156288% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.352156103699549 (8.28542e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.352153672779482 (4.54195e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.352152330741616 (2.50747e-05% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.352151885750048 (8.31425e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.352151731938056 (2.87383e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.352151681468188 (9.42983e-07% change)
- linmin: converged after 10 iterations.
- iteration 16: trace = 5.35215166667883 (2.76325e-07% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.352151661664977 (9.36792e-08% change)
- linmin: converged after 17 iterations.
- iteration 18: trace = 5.352151659840975 (3.40798e-08% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.352151659337842 (9.40057e-09% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.352151659154266 (3.42994e-09% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.352151659081804 (1.35389e-09% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.352151659049174 (6.09659e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.352151659038404 (2.01245e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.352151659035269 (5.8563e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101
-elapsed time for k point: 0.08251476287841797
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.408014214229959 (0.323637% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.395953624985706 (0.223262% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.388192869996253 (0.143929% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.383948420765395 (0.0788042% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.382101128031257 (0.034317% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.380826833882425 (0.0236793% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.379816112031413 (0.0187855% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.37889937435071 (0.0170418% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.378431618794505 (0.0086965% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.37828958778363 (0.00264079% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.378238168343272 (0.00095606% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.378217538790497 (0.000383575% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.378209482090194 (0.000149803% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.378206573501588 (5.4081e-05% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 5.378205626014852 (1.76172e-05% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.378205300789663 (6.04709e-06% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.378205138261713 (3.02197e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.378205064148518 (1.37803e-06% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.378205024912397 (7.29539e-07% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.37820500815002 (3.11672e-07% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.378205002382009 (1.07248e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.378204997047543 (9.91867e-08% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.378204992784513 (7.92649e-08% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 5.378204989224101 (6.62008e-08% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.378204987266803 (3.63932e-08% change)
- linmin: converged after 24 iterations.
- iteration 26: trace = 5.37820498656018 (1.31386e-08% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.378204986365549 (3.61887e-09% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.378204986298534 (1.24606e-09% change)
- linmin: converged after 10 iterations.
- iteration 29: trace = 5.378204986252792 (8.50508e-10% change)
- linmin: converged after 7 iterations.
- iteration 30: trace = 5.378204986222929 (5.55247e-10% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 5.378204986206846 (2.99043e-10% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 5.378204986199396 (1.38523e-10% change)
- linmin: converged after 11 iterations.
- iteration 33: trace = 5.378204986194199 (9.66258e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222
-elapsed time for k point: 0.11264729499816895
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.330842291784633 (1.63265% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.294046123341276 (0.692641% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.284981234196242 (0.171375% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.282498119419701 (0.0469954% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.281616824738639 (0.0166847% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.281190026018594 (0.00808116% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.281060361590569 (0.00245524% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.281017317052751 (0.000815077% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.281001279428567 (0.000303685% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.280995051890289 (0.000117924% change)
- linmin: converged after 10 iterations.
- iteration 11: trace = 5.280992817488505 (4.23103e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.280991955892316 (1.6315e-05% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.280991779814334 (3.33418e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.280991731376507 (9.17211e-07% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.280991719857134 (2.18129e-07% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.280991716887277 (5.62367e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.280991715662335 (2.31953e-08% change)
- linmin: converged after 23 iterations.
- iteration 18: trace = 5.280991715170661 (9.31026e-09% change)
- linmin: converged after 22 iterations.
- iteration 19: trace = 5.280991714932148 (4.51643e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.280991714863477 (1.30035e-09% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.280991714843207 (3.8383e-10% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.280991714835504 (1.45866e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.280991714829537 (1.12986e-10% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.280991714822687 (1.29704e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.28099171481807 (8.74389e-11% change)
-Finished solving for bands 1 to 8 after 25 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391
-elapsed time for k point: 0.0858449935913086
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.134764281906492 (0.624371% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.124408367543085 (0.201886% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.12235773185049 (0.040025% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.12174424238861 (0.0119774% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.121558726682936 (0.00362219% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.121477742069775 (0.00158126% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.12144790474088 (0.000582594% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.121439718676669 (0.000159839% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.121437287250297 (4.74755e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 5.121436809310323 (9.33215e-06% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.121436715075807 (1.84e-06% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.121436685510688 (5.77282e-07% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.121436680112647 (1.05401e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.121436678590913 (2.9713e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.121436678180303 (8.01748e-09% change)
- linmin: converged after 9 iterations.
- iteration 16: trace = 5.121436678101739 (1.53402e-09% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.121436678082406 (3.77491e-10% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.121436678073879 (1.66504e-10% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.121436678060035 (2.70315e-10% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.121436678042874 (3.35072e-10% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.121436678033494 (1.83153e-10% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.121436678029978 (6.86584e-11% change)
-Finished solving for bands 1 to 8 after 22 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532
-elapsed time for k point: 0.07563209533691406
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.994388823457364 (0.316337% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.990236163392892 (0.0831811% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.989513812263473 (0.0144763% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.989343647120124 (0.00341051% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.989291241669541 (0.00105035% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.989274244813457 (0.000340667% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.989267787671144 (0.000129421% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.98926609792218 (3.38677e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.989265604082192 (9.89805e-06% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.989265515601321 (1.77342e-06% change)
- linmin: converged after 22 iterations.
- iteration 11: trace = 4.989265501206935 (2.88507e-07% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.989265496708835 (9.01555e-08% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.98926549570401 (2.01397e-08% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.989265495448889 (5.1134e-09% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 4.989265495393171 (1.11674e-09% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 4.989265495383629 (1.91262e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 4.989265495381122 (5.02544e-11% change)
-Finished solving for bands 1 to 8 after 17 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635
-elapsed time for k point: 0.05908775329589844
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.909138536841025 (0.232394% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.906563118930467 (0.0524755% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.906119641576844 (0.00903886% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 4.906037816819474 (0.00166782% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 4.906013084888643 (0.000504113% change)
- linmin: converged after 10 iterations.
- iteration 6: trace = 4.906007389591607 (0.000116088% change)
- linmin: converged after 8 iterations.
- iteration 7: trace = 4.906005834953523 (3.16885e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.90600540669845 (8.7292e-06% change)
- linmin: converged after 9 iterations.
- iteration 9: trace = 4.906005254385182 (3.10463e-06% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.906005216417475 (7.73903e-07% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.906005209418547 (1.4266e-07% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.906005206803108 (5.3311e-08% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.906005206252122 (1.12309e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.906005206142122 (2.24213e-09% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.906005206125057 (3.47848e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 4.906005206120695 (8.89083e-11% change)
-Finished solving for bands 1 to 8 after 16 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708
-elapsed time for k point: 0.05560946464538574
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 4.880387825183426 (0.204402% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.878237626562295 (0.0440677% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.877861752868415 (0.00770541% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.87779955496193 (0.00127511% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 4.877780932667065 (0.000381777% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.877777338735272 (7.36797e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.877776722798983 (1.26274e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.877776610093846 (2.31058e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.877776584075415 (5.33408e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.877776575591743 (1.73925e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.877776573289267 (4.72034e-08% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.877776572070435 (2.49874e-08% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.877776571775751 (6.04136e-09% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.877776571718369 (1.17639e-09% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.877776571708921 (1.93704e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 4.877776571705265 (7.49469e-11% change)
-Finished solving for bands 1 to 8 after 16 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735
-elapsed time for k point: 0.055474281311035156
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.939234288026459 (0.398492% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.934705211880217 (0.091738% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.933808978362583 (0.0181635% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.933618724668674 (0.0038562% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.933561794539691 (0.00115393% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 4.933546467636372 (0.000310667% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.933542429887031 (8.18428e-05% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.933541498295165 (1.88828e-05% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.933541269558869 (4.63635e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.933541218844876 (1.02794e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.933541212739488 (1.23753e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.933541210751458 (4.02962e-08% change)
- linmin: converged after 8 iterations.
- iteration 13: trace = 4.9335412103081 (8.98661e-09% change)
- linmin: converged after 7 iterations.
- iteration 14: trace = 4.93354121023129 (1.55689e-09% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.93354121021697 (2.9026e-10% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.933541210214663 (4.67714e-11% change)
-Finished solving for bands 1 to 8 after 16 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665
-elapsed time for k point: 0.05568742752075195
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.099507112162946 (0.487571% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.090581721310536 (0.175178% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.088071827630135 (0.0493168% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.087225562912054 (0.0166337% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.086961938952485 (0.00518221% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.086853665324287 (0.00212848% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.086807094856582 (0.000915511% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.086793518222227 (0.000266899% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.086790021445181 (6.87423e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.08678920338145 (1.60821e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.086789045520231 (3.10336e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.086788991806464 (1.05595e-06% change)
- linmin: converged after 21 iterations.
- iteration 13: trace = 5.086788981872507 (1.95289e-07% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.086788979939779 (3.79951e-08% change)
- linmin: converged after 12 iterations.
- iteration 15: trace = 5.086788979425322 (1.01136e-08% change)
- linmin: converged after 9 iterations.
- iteration 16: trace = 5.086788979343622 (1.60614e-09% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.086788979319492 (4.74349e-10% change)
- linmin: converged after 14 iterations.
- iteration 18: trace = 5.086788979306892 (2.47712e-10% change)
- linmin: converged after 8 iterations.
- iteration 19: trace = 5.086788979301441 (1.07155e-10% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.086788979299679 (3.46416e-11% change)
-Finished solving for bands 1 to 8 after 20 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247
-elapsed time for k point: 0.06958436965942383
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.309330906730185 (0.847184% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.280371277324416 (0.546939% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.269934727134918 (0.197844% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.265762219365082 (0.0792071% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.264459973518648 (0.0247335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.263804604149918 (0.0124497% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.263469633537593 (0.00636386% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.26332510873088 (0.00274585% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.263272539866877 (0.000998782% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.263261122021764 (0.000216935% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.263257754583083 (6.39801e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.263256795625345 (1.82199e-05% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.263256607031204 (3.58322e-06% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 5.263256551248045 (1.05986e-06% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.263256530468793 (3.94798e-07% change)
- linmin: converged after 8 iterations.
- iteration 16: trace = 5.263256521693534 (1.66727e-07% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.263256515340482 (1.20706e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.263256513415704 (3.65701e-08% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.263256512765325 (1.2357e-08% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.26325651252615 (4.54425e-09% change)
- linmin: converged after 22 iterations.
- iteration 21: trace = 5.26325651238184 (2.74183e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.263256512320006 (1.17483e-09% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.263256512296805 (4.40811e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.263256512290631 (1.17299e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.263256512288837 (3.40876e-11% change)
-Finished solving for bands 1 to 8 after 25 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602
-elapsed time for k point: 0.08575057983398438
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.410850204125079 (1.34359% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.374437224940516 (0.675234% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.366093703686881 (0.155365% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.363891157761086 (0.041054% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.363304623244995 (0.0109355% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.363093120245416 (0.0039436% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.363009973967477 (0.00155035% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.362962308859946 (0.000888779% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.36292814899808 (0.000636961% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.362908167195258 (0.000372592% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.36289744556306 (0.000199922% change)
- linmin: converged after 14 iterations.
- iteration 12: trace = 5.362890832294543 (0.000123315% change)
- linmin: converged after 8 iterations.
- iteration 13: trace = 5.362888873060136 (3.65332e-05% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 5.362888159902967 (1.3298e-05% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.362887935137225 (4.19113e-06% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.362887877004606 (1.08398e-06% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.362887858604021 (3.4311e-07% change)
- linmin: converged after 13 iterations.
- iteration 18: trace = 5.362887851988768 (1.23352e-07% change)
- linmin: converged after 7 iterations.
- iteration 19: trace = 5.362887849877557 (3.93671e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.362887849213481 (1.23828e-08% change)
- linmin: converged after 18 iterations.
- iteration 21: trace = 5.362887849013017 (3.73798e-09% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.362887848952664 (1.12538e-09% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.362887848922157 (5.68857e-10% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.362887848904121 (3.36316e-10% change)
- linmin: converged after 23 iterations.
- iteration 25: trace = 5.362887848892485 (2.16973e-10% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.3628878488858 (1.24659e-10% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.362887848881172 (8.62858e-11% change)
-Finished solving for bands 1 to 8 after 27 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311
-elapsed time for k point: 0.09260249137878418
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.461006864438431 (1.06365% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.43287145074271 (0.516536% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.422688497820124 (0.187608% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.417696175353642 (0.092106% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.416105680944066 (0.0293617% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.415171295312798 (0.0172535% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.414783176172479 (0.00716751% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.414648244036304 (0.00249195% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.414594483994404 (0.000992868% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.414576265048869 (0.000336479% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.414564861067752 (0.000210617% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.414555419969368 (0.000174365% change)
- linmin: converged after 22 iterations.
- iteration 13: trace = 5.414537376508164 (0.00033324% change)
- large trace change predicted (0.000679766%)
- linmin: converged after 5 iterations.
- iteration 14: trace = 5.41450055299978 (0.000680088% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 5.414478702493852 (0.000403556% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.414472728543198 (0.000110333% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.414471330541875 (2.58197e-05% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.414470844198777 (8.98228e-06% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.414470719354939 (2.30574e-06% change)
- linmin: converged after 9 iterations.
- iteration 20: trace = 5.414470681314292 (7.02574e-07% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.414470670480571 (2.00088e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.414470667611987 (5.298e-08% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.414470666661462 (1.75553e-08% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.414470666362716 (5.51755e-09% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.414470666267754 (1.75386e-09% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.414470666221952 (8.45911e-10% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.414470666193717 (5.21476e-10% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 5.414470666171711 (4.0642e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.414470666155404 (3.01174e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.414470666140545 (2.74435e-10% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 5.414470666122156 (3.39624e-10% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.414470666102801 (3.57471e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.414470666086897 (2.93726e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.414470666075439 (2.11625e-10% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 5.414470666069086 (1.17336e-10% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.414470666066693 (4.41918e-11% change)
-Finished solving for bands 2 to 8 after 36 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475
-F.elapsed time for k point: 0.10136270523071289
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772992 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.44028964105059654 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814894 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5781815082009817 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255618 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6689126424359764 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699239 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8170847453549143 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924542 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.8826671164993851 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155063 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8832199143682118 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489807 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0660233597945281 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.087345829555554 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5781812856814894) to band 3 (0.5781815082009817), 3.848610374769843e-05%
-Gap from band 4 (0.8051999839699239) to band 5 (0.8170847453549143), 1.4651880980149015%
-Gap from band 7 (1.0580309832489807) to band 8 (1.0660233597945281), 0.7525585747580559%
-total elapsed time for run: 1.3202216625213623
-done
-/tmp/meepg15Lzl/test_epsilon_input_file-0: 1.32s
-
-/tmp/meepg15Lzl/test_first_brillouin_zone-0
-========================
-/tmp/meepg15Lzl/test_first_brillouin_zone-0: 0.10s
-
-/tmp/meepg15Lzl/test_fractional_lattice-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 4 x 4 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (0.1, 0, 0)
- (0, 0.1, 0)
- (0, 0, 1)
-Cell volume = 0.01
-Reciprocal lattice vectors (/ 2 pi):
- (10, -0, 0)
- (-0, 10, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 9 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.00020885467529296875
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- linmin: converged after 9 iterations.
- iteration 1: trace = 94.48114237152929 (61.751% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 83.8504910917422 (11.9223% change)
- linmin: converged after 5 iterations.
- switching to approximate line minimization (decrease time by 53.7037%)
- iteration 3: trace = 83.3461110942816 (0.603338% change)
- iteration 4: trace = 83.3335997859713 (0.0150124% change)
- iteration 5: trace = 83.33333949085052 (0.000312354% change)
- iteration 6: trace = 83.33333352466033 (7.15943e-06% change)
- iteration 7: trace = 83.33333333657092 (2.25707e-07% change)
- iteration 8: trace = 83.33333333338274 (3.82581e-09% change)
- iteration 9: trace = 83.33333333333437 (5.80485e-11% change)
-Finished solving for bands 2 to 8 after 9 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248
-elapsed time for k point: 0.0010149478912353516
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 10 iterations.
- iteration 1: trace = 82.33333333334654 (0.722248% change)
- linmin: converged after 2 iterations.
- iteration 2: trace = 82.33333333333381 (1.54651e-11% change)
-Finished solving for bands 1 to 8 after 2 iterations.
-tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146
-elapsed time for k point: 0.0006647109985351562
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 82.66666666666671 (5.67288e-13% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925
-elapsed time for k point: 0.0001583099365234375
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 84.33333333333334 (3.37016e-14% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462
-elapsed time for k point: 0.00016355514526367188
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 6 iterations.
- switching to approximate line minimization (decrease time by 56.1644%)
- iteration 1: trace = 87.33333333333333 (0% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655
-elapsed time for k point: 0.00017452239990234375
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 91.66666666666669 (0% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416
-elapsed time for k point: 0.0001456737518310547
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- near maximum in trace
- linmin: converged after 8 iterations.
- switching to approximate line minimization (decrease time by 61.9048%)
- iteration 1: trace = 90.66666666676359 (3.571% change)
- iteration 2: trace = 90.66666762987174 (1.06225e-06% change)
- iteration 3: trace = 90.66666666666723 (1.06236e-06% change)
- iteration 4: trace = 90.66666666666674 (5.32907e-13% change)
-Finished solving for bands 1 to 8 after 4 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975
-elapsed time for k point: 0.00031375885009765625
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 91.00000000000001 (7.80816e-14% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748
-elapsed time for k point: 0.00015044212341308594
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 92.66666666666667 (1.53355e-14% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842
-elapsed time for k point: 0.00014925003051757812
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 46 iterations.
- iteration 1: trace = 95.66666666666666 (0% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369
-elapsed time for k point: 0.0003924369812011719
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 6 iterations.
- switching to approximate line minimization (decrease time by 55.8824%)
- iteration 1: trace = 100 (0% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435
-elapsed time for k point: 0.00017523765563964844
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 91.33333333333334 (0% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697
-elapsed time for k point: 0.00014853477478027344
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 46 iterations.
- iteration 1: trace = 85.33333333333334 (0% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224
-elapsed time for k point: 0.00037026405334472656
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 82 (0% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333
-elapsed time for k point: 0.00015664100646972656
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 40 iterations.
- iteration 1: trace = 81.33333333333334 (1.74724e-14% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284
-elapsed time for k point: 0.00033736228942871094
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 33 iterations.
- iteration 1: trace = 83.33333333333334 (0% change)
-Finished solving for bands 2 to 8 after 1 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248
-.elapsed time for k point: 0.0002598762512207031
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.041241452319313 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 1.443375672974069 at Vector3<0.5, 0.0, 0.0> to 2.886751345948136 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 2.041241452319315 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0>
-Band 4 range: 2.041241452319317 at Vector3<0.5, 0.5, 0.0> to 3.265986323710903 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
-Band 5 range: 2.8867513459481304 at Vector3<0.0, 0.0, 0.0> to 4.564354645876378 at Vector3<0.5, 0.5, 0.0>
-Band 6 range: 3.2274861218395166 at Vector3<0.5, 0.0, 0.0> to 4.564354645876382 at Vector3<0.5, 0.5, 0.0>
-Band 7 range: 3.696845502136475 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0>
-Band 8 range: 4.082482904638633 at Vector3<0.0, 0.0, 0.0> to 5.204164998665331 at Vector3<0.5, 0.0, 0.0>
-total elapsed time for run: 0.005357980728149414
-done
-/tmp/meepg15Lzl/test_fractional_lattice-0: 0.01s
-
-/tmp/meepg15Lzl/test_get_bfield-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0014624595642089844
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14335036277770996
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.4058830738067627
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08919429779052734
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.0822746753692627
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09528994560241699
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14841842651367188
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.11227226257324219
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09525942802429199
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.08204340934753418
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07863950729370117
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07857346534729004
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.062193870544433594
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07223939895629883
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09885358810424805
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11546492576599121
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.25371265411376953
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 2.0163958072662354
-done
-Fixing b-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388
-./tmp/meepg15Lzl/test_get_bfield-0: 2.02s
-
-/tmp/meepg15Lzl/test_get_dfield-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0014297962188720703
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.1454606056213379
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.406963586807251
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.0896446704864502
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.08234715461730957
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09549307823181152
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14877033233642578
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.1128232479095459
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09565973281860352
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.08248305320739746
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07895708084106445
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07867169380187988
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.0623166561126709
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07245373725891113
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09933900833129883
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11586141586303711
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.25766587257385254
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 2.0276641845703125
-done
-Fixing d-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 8.66842
-./tmp/meepg15Lzl/test_get_dfield-0: 2.04s
-
-/tmp/meepg15Lzl/test_get_efield-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013532638549804688
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.145249605178833
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.4060556888580322
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08964800834655762
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.08263921737670898
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09562563896179199
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14920735359191895
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.11227655410766602
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.0957021713256836
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.08259105682373047
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07889509201049805
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07875227928161621
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.062395334243774414
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07246232032775879
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09952497482299805
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11650371551513672
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.25812840461730957
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 2.0283260345458984
-done
-Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099
-./tmp/meepg15Lzl/test_get_efield-0: 2.03s
-
-/tmp/meepg15Lzl/test_get_eigenvectors-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013759136199951172
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.1455059051513672
-Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1
-Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967
-Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896
-Fixing h-field (band 4) phase by 0.925589 + 0.37853i; max ampl. = 4.27882
-Fixing h-field (band 5) phase by 0.921393 + 0.388632i; max ampl. = 1.75894
-Fixing h-field (band 6) phase by -0.798747 + 0.601666i; max ampl. = 3.7555
-Fixing h-field (band 7) phase by -0.914893 + 0.403697i; max ampl. = 3.75555
-Fixing h-field (band 8) phase by -0.0496898 + 0.998765i; max ampl. = 4.48388
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 7 iterations.
- iteration 1: trace = 5.581244026696292 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490351 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957673 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526859 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966758 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.568412126299268 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.56798196012209 (0.00772541% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607941 (0.00248501% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.567469488484445 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.5674314806203 (0.00068268% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.567416724766411 (0.000265039% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.567409796393766 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003681 (1.09636e-05% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.567408898969306 (5.15562e-06% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.56740877689189 (2.19272e-06% change)
- linmin: converged after 14 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.56740870472469 (3.30164e-07% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.567408695925265 (1.58052e-07% change)
- linmin: converged after 18 iterations.
- iteration 21: trace = 5.567408689562832 (1.1428e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.567408680883109 (1.55902e-07% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.567408666017922 (2.67004e-07% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.567408645087862 (3.75939e-07% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 5.567408614757096 (5.44791e-07% change)
- large trace change predicted (2.01092e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502816416 (2.01064e-06% change)
- near maximum in trace
- linmin: converged after 15 iterations.
- iteration 27: trace = 5.566934835523604 (0.00850822% change)
- linmin: converged after 7 iterations.
- iteration 28: trace = 5.566934530343008 (5.48202e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.566934225147977 (5.48228e-06% change)
- linmin: converged after 8 iterations.
- iteration 30: trace = 5.566933920036067 (5.48079e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.56693361509334 (5.47775e-06% change)
- linmin: converged after 7 iterations.
- iteration 32: trace = 5.56693331039379 (5.47338e-06% change)
- linmin: converged after 8 iterations.
- iteration 33: trace = 5.566933006000246 (5.46789e-06% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.566932701965428 (5.46144e-06% change)
- linmin: converged after 8 iterations.
- iteration 35: trace = 5.566932398332735 (5.45422e-06% change)
- linmin: converged after 8 iterations.
- iteration 36: trace = 5.566932095137195 (5.44637e-06% change)
- linmin: converged after 8 iterations.
- iteration 37: trace = 5.566931792406258 (5.43802e-06% change)
- linmin: converged after 6 iterations.
- iteration 38: trace = 5.566931490160487 (5.42931e-06% change)
- linmin: converged after 6 iterations.
- iteration 39: trace = 5.566931188414395 (5.42033e-06% change)
- linmin: converged after 7 iterations.
- iteration 40: trace = 5.566930887176978 (5.41119e-06% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.566930586452395 (5.40198e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930286240471 (5.39277e-06% change)
- linmin: converged after 9 iterations.
- iteration 43: trace = 5.566929986537181 (5.38364e-06% change)
- linmin: converged after 6 iterations.
- iteration 44: trace = 5.566929687335154 (5.37463e-06% change)
- linmin: converged after 5 iterations.
- iteration 45: trace = 5.56692938862407 (5.36581e-06% change)
- linmin: converged after 11 iterations.
- iteration 46: trace = 5.566929090391031 (5.35723e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.56692879262083 (5.34891e-06% change)
- linmin: converged after 9 iterations.
- iteration 48: trace = 5.566928495296353 (5.34091e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928198378974 (5.33359e-06% change)
- linmin: converged after 24 iterations.
- iteration 50: trace = 5.566927901887999 (5.32594e-06% change)
- linmin: converged after 5 iterations.
- iteration 51: trace = 5.566927605763643 (5.31935e-06% change)
- linmin: converged after 12 iterations.
- iteration 52: trace = 5.566927310020358 (5.3125e-06% change)
- linmin: converged after 5 iterations.
- iteration 53: trace = 5.566927014600721 (5.30669e-06% change)
- linmin: converged after 5 iterations.
- iteration 54: trace = 5.566926719511573 (5.30075e-06% change)
- linmin: converged after 9 iterations.
- iteration 55: trace = 5.566926424712653 (5.29554e-06% change)
- linmin: converged after 5 iterations.
- iteration 56: trace = 5.566926130166101 (5.29101e-06% change)
- linmin: converged after 6 iterations.
- iteration 57: trace = 5.566925835871702 (5.28648e-06% change)
- linmin: converged after 9 iterations.
- iteration 58: trace = 5.566925541790937 (5.28264e-06% change)
- linmin: converged after 10 iterations.
- iteration 59: trace = 5.566925247897712 (5.27927e-06% change)
- linmin: converged after 6 iterations.
- iteration 60: trace = 5.566924954156915 (5.27654e-06% change)
- linmin: converged after 6 iterations.
- iteration 61: trace = 5.566924660552115 (5.27409e-06% change)
- linmin: converged after 5 iterations.
- iteration 62: trace = 5.566924367064406 (5.27199e-06% change)
- linmin: converged after 11 iterations.
- iteration 63: trace = 5.566924073659454 (5.2705e-06% change)
- linmin: converged after 12 iterations.
- iteration 64: trace = 5.566923780311137 (5.26949e-06% change)
- linmin: converged after 5 iterations.
- iteration 65: trace = 5.566923486988138 (5.26903e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923193675325 (5.26885e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922900337394 (5.2693e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922606953678 (5.27012e-06% change)
- linmin: converged after 6 iterations.
- iteration 69: trace = 5.566922313501016 (5.27136e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754154%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718699289037 (0.0755391% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516817389784 (0.0575762% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793179139252 (0.0490026% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554012045602661 (0.0500618% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552007094045905 (0.0361057% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550549057842941 (0.0262649% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458397204102 (0.0196515% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474953700598 (0.017723% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115187955224 (0.02451% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.545236368598172 (0.0338759% change)
- linmin: converged after 9 iterations.
- iteration 80: trace = 5.543229142567636 (0.0362039% change)
- linmin: converged after 10 iterations.
- iteration 81: trace = 5.541884517727373 (0.02426% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240187846709 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832178757127 (0.00736341% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632129926411 (0.00361051% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.540551229245906 (0.00146015% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517984637142 (0.000600025% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.540507595613592 (0.00018751% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503181743341 (7.96655e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522107331 (2.99546e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500790404958 (1.32064e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500268932853 (9.412e-06% change)
- linmin: converged after 7 iterations.
- iteration 92: trace = 5.540499832064119 (7.88501e-06% change)
- linmin: converged after 3 iterations.
- iteration 93: trace = 5.540499529384537 (5.46304e-06% change)
- linmin: converged after 8 iterations.
- iteration 94: trace = 5.540499207175216 (5.81553e-06% change)
- linmin: converged after 10 iterations.
- iteration 95: trace = 5.540498785286145 (7.61464e-06% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 5.540498246106514 (9.73161e-06% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 5.540497716467954 (9.5594e-06% change)
- linmin: converged after 11 iterations.
- iteration 98: trace = 5.540497530058075 (3.3645e-06% change)
- linmin: converged after 4 iterations.
- iteration 99: trace = 5.540497433477556 (1.74317e-06% change)
- linmin: converged after 5 iterations.
- iteration 100: trace = 5.540497373258972 (1.08688e-06% change)
- linmin: converged after 19 iterations.
- iteration 101: trace = 5.540497321020577 (9.42847e-07% change)
- linmin: converged after 7 iterations.
- iteration 102: trace = 5.540497282526125 (6.94783e-07% change)
- linmin: converged after 19 iterations.
- iteration 103: trace = 5.540497260437016 (3.98685e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250241875 (1.84011e-07% change)
- linmin: converged after 7 iterations.
- iteration 105: trace = 5.540497245841268 (7.94262e-08% change)
- linmin: converged after 22 iterations.
- iteration 106: trace = 5.540497244298022 (2.78539e-08% change)
- linmin: converged after 20 iterations.
- iteration 107: trace = 5.54049724357753 (1.30041e-08% change)
- linmin: converged after 17 iterations.
- iteration 108: trace = 5.540497243251986 (5.87572e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063252 (3.40644e-09% change)
- linmin: converged after 15 iterations.
- iteration 110: trace = 5.5404972429578 (1.9033e-09% change)
- linmin: converged after 9 iterations.
- iteration 111: trace = 5.540497242914308 (7.84973e-10% change)
- linmin: converged after 5 iterations.
- iteration 112: trace = 5.54049724287935 (6.30967e-10% change)
- linmin: converged after 7 iterations.
- iteration 113: trace = 5.540497242844003 (6.37972e-10% change)
- linmin: converged after 4 iterations.
- iteration 114: trace = 5.540497242790192 (9.71234e-10% change)
- linmin: converged after 8 iterations.
- iteration 115: trace = 5.540497242723097 (1.21099e-09% change)
- linmin: converged after 5 iterations.
- iteration 116: trace = 5.5404972426584 (1.16771e-09% change)
- linmin: converged after 21 iterations.
- iteration 117: trace = 5.540497242618865 (7.13573e-10% change)
- linmin: converged after 9 iterations.
- iteration 118: trace = 5.540497242597718 (3.81674e-10% change)
- linmin: converged after 6 iterations.
- iteration 119: trace = 5.540497242587055 (1.92464e-10% change)
- linmin: converged after 4 iterations.
- iteration 120: trace = 5.540497242581504 (1.00176e-10% change)
- linmin: converged after 6 iterations.
- iteration 121: trace = 5.540497242579402 (3.79446e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.40752077102661133
-Fixing h-field (band 1) phase by -1 + 2.59125e-07i; max ampl. = 1.02721
-Fixing h-field (band 2) phase by -0.999999 + 0.00113246i; max ampl. = 5.09036
-Fixing h-field (band 3) phase by 0.000421577 + -1i; max ampl. = 3.73536
-Fixing h-field (band 4) phase by -0.000253674 + -1i; max ampl. = 4.23726
-Fixing h-field (band 5) phase by -1 + -7.07656e-05i; max ampl. = 1.49733
-Fixing h-field (band 6) phase by 0.000414254 + 1i; max ampl. = 3.68915
-Fixing h-field (band 7) phase by 2.53933e-05 + 1i; max ampl. = 2.46425
-Fixing h-field (band 8) phase by 0.999999 + -0.00135077i; max ampl. = 4.67306
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081904197 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029238665 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358032114 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093774016 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600184 (0.00664425% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.499421768472725 (0.00159856% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.49939411071745 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903555 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644882 (7.72498e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.499376203354394 (3.5482e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.499375450158939 (1.3696e-05% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.499375151065395 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510659 (2.44673e-06% change)
- linmin: converged after 25 iterations.
- iteration 14: trace = 5.499374968565679 (8.71826e-07% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.49937495268447 (2.88782e-07% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.499374947904288 (8.69223e-08% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.499374946845077 (1.92606e-08% change)
- linmin: converged after 16 iterations.
- iteration 18: trace = 5.499374946585432 (4.72137e-09% change)
- linmin: converged after 15 iterations.
- iteration 19: trace = 5.499374946459587 (2.28835e-09% change)
- linmin: converged after 16 iterations.
- iteration 20: trace = 5.499374946407666 (9.44128e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.499374946373184 (6.27012e-10% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.499374946343337 (5.42723e-10% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.499374946309959 (6.06953e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.499374946288361 (3.92733e-10% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 5.49937494627979 (1.55853e-10% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.499374946276071 (6.76223e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08928632736206055
-Fixing h-field (band 1) phase by 1 + -4.11365e-12i; max ampl. = 1.11365
-Fixing h-field (band 2) phase by -1 + 5.201e-09i; max ampl. = 4.92243
-Fixing h-field (band 3) phase by -1.10219e-09 + 1i; max ampl. = 2.65638
-Fixing h-field (band 4) phase by 2.2004e-08 + -1i; max ampl. = 4.33159
-Fixing h-field (band 5) phase by -8.62525e-10 + 1i; max ampl. = 4.52032
-Fixing h-field (band 6) phase by -4.01015e-08 + -1i; max ampl. = 3.38228
-Fixing h-field (band 7) phase by -1 + -6.37197e-10i; max ampl. = 2.75759
-Fixing h-field (band 8) phase by -1 + -3.09712e-06i; max ampl. = 4.29116
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070073415 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.489514109187258 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.48705611194667 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972764 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583154 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149402 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235695 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.48546977263449 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450177 (0.000140848% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.485459325302667 (1.14345e-05% change)
- linmin: converged after 26 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.485459123224633 (9.57369e-07% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.485459100856722 (4.07767e-07% change)
- linmin: converged after 9 iterations.
- iteration 15: trace = 5.485459090161544 (1.94973e-07% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.485459083892637 (1.14282e-07% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.48545908155655 (4.25869e-08% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.48545908063929 (1.67216e-08% change)
- linmin: converged after 22 iterations.
- iteration 19: trace = 5.485459080258169 (6.94786e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162864 (1.73741e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.485459080117765 (8.2214e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.485459080098437 (3.5236e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.485459080091234 (1.31313e-10% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.485459080087866 (6.13982e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.08247947692871094
-Fixing h-field (band 1) phase by 1 + 7.44546e-16i; max ampl. = 1.27437
-Fixing h-field (band 2) phase by -1 + -1.25145e-13i; max ampl. = 4.45322
-Fixing h-field (band 3) phase by 1 + 2.75073e-13i; max ampl. = 2.62315
-Fixing h-field (band 4) phase by 8.09049e-10 + 1i; max ampl. = 4.45542
-Fixing h-field (band 5) phase by 1.14858e-13 + -1i; max ampl. = 5.0129
-Fixing h-field (band 6) phase by -8.93338e-10 + 1i; max ampl. = 2.79024
-Fixing h-field (band 7) phase by 1 + -1.81983e-14i; max ampl. = 2.99991
-Fixing h-field (band 8) phase by -1 + 1.50887e-08i; max ampl. = 3.46534
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023686845 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601550851 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987764577 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809282725 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443433401 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742667397 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843728544 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792831476 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084534786 (0.000321712% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.504375542715216 (0.000137015% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.504370385450914 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323706 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.504364129496819 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098138 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759298 (8.49034e-06% change)
- linmin: converged after 10 iterations.
- iteration 16: trace = 5.504362239277654 (3.46056e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.504362167575552 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.504362102222023 (3.57677e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.504362095716725 (1.18184e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.504362093490904 (4.04374e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.504362092750774 (1.34463e-08% change)
- linmin: converged after 16 iterations.
- iteration 23: trace = 5.504362092362593 (7.05224e-09% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.504362092126029 (4.29775e-09% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 5.504362092030187 (1.74121e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.504362091995301 (6.33786e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.504362091984241 (2.00924e-10% change)
- linmin: converged after 8 iterations.
- iteration 28: trace = 5.504362091981037 (5.82183e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09575581550598145
-Fixing h-field (band 1) phase by 1 + 9.1952e-18i; max ampl. = 1.5052
-Fixing h-field (band 2) phase by -1 + -1.24699e-14i; max ampl. = 3.59052
-Fixing h-field (band 3) phase by -1 + 4.89889e-15i; max ampl. = 3.69829
-Fixing h-field (band 4) phase by 7.09972e-12 + -1i; max ampl. = 4.56151
-Fixing h-field (band 5) phase by 1.02753e-14 + -1i; max ampl. = 5.08436
-Fixing h-field (band 6) phase by 9.2813e-12 + 1i; max ampl. = 1.72494
-Fixing h-field (band 7) phase by -1 + -1.59659e-14i; max ampl. = 3.24171
-Fixing h-field (band 8) phase by 3.93792e-11 + -1i; max ampl. = 3.16645
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373816362 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679619856 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373176 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343177978 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180043 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600309 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565389 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740501 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.542899533685004 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443202 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714559 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259601 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189773 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693475 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652964 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689267 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647871 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294862 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327792 (2.29283e-05% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.538868254295133 (8.84716e-06% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.538867707344394 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530767222 (3.18797e-06% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 5.53886739246091 (2.49701e-06% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 5.538867282535859 (1.98461e-06% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.538867196565556 (1.55213e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.538867107786442 (1.60284e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688868 (2.11411e-06% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.538866904155147 (1.5623e-06% change)
- linmin: converged after 10 iterations.
- iteration 30: trace = 5.538866877341245 (4.84104e-07% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.538866871036468 (1.13828e-07% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 5.53886686954973 (2.68419e-08% change)
- linmin: converged after 16 iterations.
- iteration 33: trace = 5.538866869090199 (8.29648e-09% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 5.538866868884011 (3.72257e-09% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.538866868762681 (2.19051e-09% change)
- linmin: converged after 9 iterations.
- iteration 36: trace = 5.53886686869315 (1.25533e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641546 (9.31672e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615201 (4.75641e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605639 (1.72637e-10% change)
- linmin: converged after 6 iterations.
- iteration 40: trace = 5.538866868600092 (1.00141e-10% change)
- linmin: converged after 21 iterations.
- iteration 41: trace = 5.538866868590822 (1.67361e-10% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.538866868573498 (3.1277e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559324 (2.55909e-10% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.538866868553962 (9.68056e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.1497783660888672
-Fixing h-field (band 1) phase by 1 + -8.3688e-17i; max ampl. = 1.38878
-Fixing h-field (band 2) phase by 1 + 2.73398e-18i; max ampl. = 3.48407
-Fixing h-field (band 3) phase by 1 + 2.92499e-15i; max ampl. = 4.1103
-Fixing h-field (band 4) phase by 2.45632e-12 + -1i; max ampl. = 4.60286
-Fixing h-field (band 5) phase by -9.60915e-15 + -1i; max ampl. = 4.98821
-Fixing h-field (band 6) phase by 1 + -2.31593e-12i; max ampl. = 2.6134
-Fixing h-field (band 7) phase by 1 + 1.9262e-14i; max ampl. = 4.2595
-Fixing h-field (band 8) phase by 2.44455e-12 + 1i; max ampl. = 3.64602
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.490847033777615 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081945518 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780923792 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.423934922754058 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.42156545108918 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496871733 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757032539 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055600301 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.419861802792744 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109974 (0.000625805% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.419810483680911 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901301 (0.000153156% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.419798984057772 (5.90214e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.41979814967787 (1.5395e-05% change)
- linmin: converged after 11 iterations.
- iteration 15: trace = 5.419797850965186 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322768 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546705 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573499 (1.84014e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.419797735608417 (5.47084e-08% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.419797734088984 (2.80349e-08% change)
- linmin: converged after 21 iterations.
- iteration 21: trace = 5.419797733507753 (1.07242e-08% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.419797733261658 (4.54066e-09% change)
- linmin: converged after 11 iterations.
- iteration 23: trace = 5.419797733151182 (2.0384e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102891 (8.90997e-10% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 5.419797733077007 (4.77586e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.419797733054168 (4.21409e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031984 (4.09298e-10% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.41979773301672 (2.81638e-10% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.419797733003427 (2.45274e-10% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.419797732989453 (2.57827e-10% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.419797732973866 (2.87604e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963328 (1.94423e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958387 (9.11646e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.11258482933044434
-Fixing h-field (band 1) phase by 1 + -2.73517e-16i; max ampl. = 1.39153
-Fixing h-field (band 2) phase by -1 + -6.3175e-13i; max ampl. = 3.54504
-Fixing h-field (band 3) phase by 1 + 2.50805e-13i; max ampl. = 3.95334
-Fixing h-field (band 4) phase by -8.06083e-13 + 1i; max ampl. = 4.50492
-Fixing h-field (band 5) phase by -1.53823e-14 + -1i; max ampl. = 4.84663
-Fixing h-field (band 6) phase by -2.83277e-16 + -1i; max ampl. = 1.79067
-Fixing h-field (band 7) phase by 2.4431e-13 + 1i; max ampl. = 3.04657
-Fixing h-field (band 8) phase by 1 + 1.48863e-12i; max ampl. = 4.1605
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098775 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345183182 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628588963 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571972 (0.0200646% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.241214212212872 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880097 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573597 (0.00182765% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.24087174159758 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765969 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.240855477877317 (9.17004e-05% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.240854364699085 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786505 (6.04696e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.240853968321847 (1.51625e-06% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.240853954364835 (2.66312e-07% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.240853950743166 (6.91046e-08% change)
- linmin: converged after 14 iterations.
- iteration 16: trace = 5.240853949555026 (2.26707e-08% change)
- linmin: converged after 19 iterations.
- iteration 17: trace = 5.240853949179415 (7.16697e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.240853949031692 (2.81869e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.240853948976929 (1.04493e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.240853948939868 (7.07139e-10% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.240853948883504 (1.07549e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.240853948833732 (9.49688e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.240853948802545 (5.95067e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.240853948778208 (4.6437e-10% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 5.240853948757247 (3.99954e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.24085394874231 (2.85018e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.240853948735854 (1.23189e-10% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 5.240853948733923 (3.68432e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09583449363708496
-Fixing h-field (band 1) phase by 1 + 5.7372e-16i; max ampl. = 1.40192
-Fixing h-field (band 2) phase by -1 + 9.3105e-13i; max ampl. = 3.73151
-Fixing h-field (band 3) phase by 1 + 6.29261e-13i; max ampl. = 3.50756
-Fixing h-field (band 4) phase by -5.25985e-12 + 1i; max ampl. = 4.25492
-Fixing h-field (band 5) phase by -7.83279e-15 + 1i; max ampl. = 4.10702
-Fixing h-field (band 6) phase by -5.16826e-15 + 1i; max ampl. = 3.1563
-Fixing h-field (band 7) phase by 1.72513e-12 + 1i; max ampl. = 3.26912
-Fixing h-field (band 8) phase by -1 + -3.37843e-12i; max ampl. = 4.78292
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984913334 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052906 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787866141 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833586 (0.00623852% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.09661672198651 (0.00298415% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.096573167031523 (0.000854589% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.096556387466498 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105120984 (0.000162509% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.096545531978203 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143689 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.096544290838739 (9.70167e-07% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.096544277659975 (2.58582e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.096544274637563 (5.93032e-08% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 5.096544273956442 (1.33644e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.096544273766987 (3.71732e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707483 (1.16754e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672398 (6.88404e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621829 (9.92228e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.096544273547274 (1.46285e-09% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.096544273463897 (1.63597e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426185 (7.39936e-10% change)
- linmin: converged after 6 iterations.
- iteration 23: trace = 5.096544273414496 (2.29358e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.096544273410623 (7.59995e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.08265995979309082
-Fixing h-field (band 1) phase by -1 + 7.04169e-13i; max ampl. = 4.05119
-Fixing h-field (band 2) phase by 1 + -1.57493e-15i; max ampl. = 1.42991
-Fixing h-field (band 3) phase by -1 + -8.3309e-13i; max ampl. = 2.78416
-Fixing h-field (band 4) phase by -6.94462e-15 + -1i; max ampl. = 2.53227
-Fixing h-field (band 5) phase by -5.94331e-12 + 1i; max ampl. = 3.9265
-Fixing h-field (band 6) phase by -7.3887e-15 + -1i; max ampl. = 4.52548
-Fixing h-field (band 7) phase by -1.34735e-11 + -1i; max ampl. = 3.4739
-Fixing h-field (band 8) phase by -1 + 7.4233e-12i; max ampl. = 4.9086
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945910328 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962015 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252272 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190485 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301295 (0.00137859% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.006443503180207 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863524 (7.98834e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.006437606345084 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310695 (1.27243e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.006436638672484 (6.60426e-06% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.006436539138805 (1.98811e-06% change)
- linmin: converged after 12 iterations.
- iteration 12: trace = 5.006436508297357 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318631 (1.79344e-07% change)
- linmin: converged after 23 iterations.
- iteration 14: trace = 5.006436497214725 (4.2024e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812788 (8.02841e-09% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.00643649671343 (1.9846e-09% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.006436496673627 (7.95033e-10% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.006436496632907 (8.13359e-10% change)
- large trace change predicted (2.20202e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.006436496522667 (2.20196e-09% change)
- linmin: converged after 12 iterations.
- iteration 20: trace = 5.006436496410068 (2.24908e-09% change)
- linmin: converged after 10 iterations.
- iteration 21: trace = 5.006436496357244 (1.05513e-09% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.006436496344438 (2.55786e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.006436496341392 (6.08507e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07949137687683105
-Fixing h-field (band 1) phase by 1 + -1.79442e-16i; max ampl. = 4.46619
-Fixing h-field (band 2) phase by 1 + -4.56205e-12i; max ampl. = 1.51506
-Fixing h-field (band 3) phase by 1 + 9.55568e-16i; max ampl. = 1.66014
-Fixing h-field (band 4) phase by 1 + -4.82846e-11i; max ampl. = 1.64641
-Fixing h-field (band 5) phase by -1.58264e-14 + 1i; max ampl. = 3.54599
-Fixing h-field (band 6) phase by -1.90024e-11 + -1i; max ampl. = 4.96988
-Fixing h-field (band 7) phase by -2.78168e-14 + 1i; max ampl. = 3.72139
-Fixing h-field (band 8) phase by 1 + 9.38093e-14i; max ampl. = 4.85167
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.97899375042192 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350138666 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668872994 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931619 (0.00298359% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.97599920536234 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.9759871531917 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125811 (4.0958e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.975984462449321 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964288 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211398 (9.39571e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705353 (3.92004e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.975984271802621 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.97598426749548 (8.65586e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.975984265893696 (5.40348e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819601 (1.48906e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774339 (9.096e-10% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 4.975984265706847 (1.35635e-09% change)
- large trace change predicted (3.48832e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533269 (3.48832e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 4.975984265426871 (2.13822e-09% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 4.975984265393327 (6.74115e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384496 (1.77476e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381781 (5.45653e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07881021499633789
-Fixing h-field (band 1) phase by 1 + -1.87958e-17i; max ampl. = 4.70977
-Fixing h-field (band 2) phase by 1 + 3.02546e-13i; max ampl. = 1.38038
-Fixing h-field (band 3) phase by -3.01376e-13 + 1i; max ampl. = 1.85505
-Fixing h-field (band 4) phase by 1 + -2.52601e-11i; max ampl. = 1.90199
-Fixing h-field (band 5) phase by -1 + -4.64546e-15i; max ampl. = 3.83362
-Fixing h-field (band 6) phase by 1.22076e-11 + 1i; max ampl. = 4.82728
-Fixing h-field (band 7) phase by -2.07462e-12 + -1i; max ampl. = 5.11981
-Fixing h-field (band 8) phase by 1 + 8.40396e-14i; max ampl. = 4.68981
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627902 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841112 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213692 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352593 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.036388281602311 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959927 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251282 (4.77269e-05% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.036378780323872 (1.07603e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.03637856142262 (4.3464e-06% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 5.036378497300829 (1.27317e-06% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.036378484106178 (2.61987e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911196 (6.34381e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128378 (1.55433e-08% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.036378479954632 (3.44983e-09% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.036378479909362 (8.98852e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898018 (2.25238e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.036378479895266 (5.46517e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.062432289123535156
-Fixing h-field (band 1) phase by 1 + -4.27711e-17i; max ampl. = 3.59873
-Fixing h-field (band 2) phase by 1 + -1.20874e-16i; max ampl. = 3.10702
-Fixing h-field (band 3) phase by -8.38065e-10 + -1i; max ampl. = 1.92561
-Fixing h-field (band 4) phase by -5.05322e-16 + -1i; max ampl. = 1.49149
-Fixing h-field (band 5) phase by -1.83759e-15 + 1i; max ampl. = 3.30734
-Fixing h-field (band 6) phase by -4.16721e-11 + -1i; max ampl. = 5.21642
-Fixing h-field (band 7) phase by 5.05322e-16 + 1i; max ampl. = 3.66792
-Fixing h-field (band 8) phase by 1 + 7.01609e-10i; max ampl. = 4.83365
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352165317 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254329344 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.208582459524669 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191119654 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251347321 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445593 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.206604831487764 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.206579319181517 (0.00049% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.206571394211565 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670577 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.20656674144837 (2.07473e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.206566435491533 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737289 (1.95434e-06% change)
- linmin: converged after 20 iterations.
- iteration 14: trace = 5.206566313192126 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.206566308082134 (9.81452e-08% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.206566306507289 (3.02473e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.206566306040202 (8.97113e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.206566305927631 (2.16209e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900049 (5.29761e-10% change)
- linmin: converged after 8 iterations.
- iteration 20: trace = 5.20656630589373 (1.21356e-10% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.206566305891688 (3.92353e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07241201400756836
-Fixing h-field (band 1) phase by 1 + 1.28137e-17i; max ampl. = 1.81199
-Fixing h-field (band 2) phase by -1 + 5.34357e-16i; max ampl. = 4.51433
-Fixing h-field (band 3) phase by -5.2077e-10 + 1i; max ampl. = 2.16532
-Fixing h-field (band 4) phase by -1.61932e-13 + 1i; max ampl. = 3.56127
-Fixing h-field (band 5) phase by -1.67146e-14 + 1i; max ampl. = 2.47045
-Fixing h-field (band 6) phase by 5.21701e-09 + 1i; max ampl. = 5.05859
-Fixing h-field (band 7) phase by -9.29984e-13 + -1i; max ampl. = 3.23411
-Fixing h-field (band 8) phase by 1 + 6.91201e-10i; max ampl. = 4.7734
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756293992 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812739307 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622411479 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356550667 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971023 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855462 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333846 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338574961 (0.00709503% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.41726912939794 (0.00376953% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.417145557811525 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895446 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907003 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.417088991729021 (7.93815e-06% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.417088858207657 (2.46482e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.417088812132402 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744951 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389878 (2.28076e-07% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.417088770680259 (1.054e-07% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.417088768321157 (4.35492e-08% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.417088767370204 (1.75547e-08% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.41708876692841 (8.15556e-09% change)
- linmin: converged after 10 iterations.
- iteration 24: trace = 5.417088766681356 (4.56064e-09% change)
- linmin: converged after 10 iterations.
- iteration 25: trace = 5.417088766554598 (2.33997e-09% change)
- linmin: converged after 10 iterations.
- iteration 26: trace = 5.417088766462989 (1.69112e-09% change)
- linmin: converged after 11 iterations.
- iteration 27: trace = 5.417088766423705 (7.25189e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.417088766412562 (2.05686e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.417088766409225 (6.16157e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09895563125610352
-Fixing h-field (band 1) phase by 1 + 1.45835e-16i; max ampl. = 1.2604
-Fixing h-field (band 2) phase by -1 + -3.55376e-15i; max ampl. = 4.86397
-Fixing h-field (band 3) phase by -7.62302e-11 + 1i; max ampl. = 2.6696
-Fixing h-field (band 4) phase by -5.8459e-14 + 1i; max ampl. = 3.93612
-Fixing h-field (band 5) phase by 8.36458e-11 + -1i; max ampl. = 4.6489
-Fixing h-field (band 6) phase by 8.27688e-15 + -1i; max ampl. = 2.84446
-Fixing h-field (band 7) phase by -1 + 4.51329e-15i; max ampl. = 3.74182
-Fixing h-field (band 8) phase by -1 + 1.45602e-10i; max ampl. = 4.03853
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178997475 (1.22609% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 5.549498902382941 (0.909518% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 5.534363640711227 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157937 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091515 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.523244061860524 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.52292105521615 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379669 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667835 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.52254069646597 (0.00197377% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.522446530191286 (0.00170514% change)
- linmin: converged after 8 iterations.
- iteration 12: trace = 5.522358366920831 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118334 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461869 (0.000382933% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.522271218168351 (0.000152515% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.522268619550511 (4.70571e-05% change)
- linmin: converged after 14 iterations.
- iteration 17: trace = 5.52226795829274 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758809014 (3.61235e-06% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.522267691563947 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644702 (4.33142e-07% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.522267656938316 (1.93877e-07% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.522267653032532 (7.07279e-08% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.522267650435404 (4.70301e-08% change)
- linmin: converged after 32 iterations.
- iteration 24: trace = 5.522267648929526 (2.72692e-08% change)
- linmin: converged after 24 iterations.
- iteration 25: trace = 5.522267648122488 (1.46142e-08% change)
- linmin: converged after 16 iterations.
- iteration 26: trace = 5.52226764745812 (1.20307e-08% change)
- linmin: converged after 8 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 16 iterations.
- iteration 28: trace = 5.5222676462904 (9.63754e-09% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.522267645965358 (5.88603e-09% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.522267645803391 (2.93299e-09% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.522267645716788 (1.56825e-09% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.522267645679249 (6.79773e-10% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 5.522267645667601 (2.10936e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664741 (5.17891e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11607193946838379
-Fixing h-field (band 1) phase by 1 + -6.59241e-17i; max ampl. = 1.05606
-Fixing h-field (band 2) phase by -1 + 2.71862e-15i; max ampl. = 5.06002
-Fixing h-field (band 3) phase by 2.63682e-10 + 1i; max ampl. = 3.59476
-Fixing h-field (band 4) phase by -6.12323e-17 + -1i; max ampl. = 4.14887
-Fixing h-field (band 5) phase by -1 + -2.57093e-10i; max ampl. = 1.36944
-Fixing h-field (band 6) phase by -9.0023e-13 + 1i; max ampl. = 3.24838
-Fixing h-field (band 7) phase by 3.18418e-12 + -1i; max ampl. = 2.57459
-Fixing h-field (band 8) phase by 1 + -1.48388e-15i; max ampl. = 4.85277
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.62341534369291 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468799225 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.580951640940337 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172742819 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.57161873626484 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107768875 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898397 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.569460656419794 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950425 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401032 (0.00100529% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.569256880778756 (0.000593805% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.569207664431215 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.56913350253315 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283174022 (0.00806656% change)
- near maximum in trace
- linmin: converged after 11 iterations.
- iteration 15: trace = 5.566399673351522 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541201605374 (0.0154236% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.564709388825232 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783784843896 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668008468074 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318637398427 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813630801959 (0.0270657% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.558314618236061 (0.0269652% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.556960244586609 (0.0243696% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.555789586694767 (0.0210687% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.554798721104044 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114278892 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.553376036027672 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677030462 (0.00832607% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583829627 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970112273 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061024367 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957025719 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590488221 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249526820524 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677434417 (0.00363617% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.550864325197214 (0.00330307% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189085463 (0.00304707% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.550537717952991 (0.002837% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.550390745016765 (0.00264794% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 5.550253430569195 (0.00247399% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 5.550124903540151 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004421846708 (0.00217082% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891461704793 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.549785756741302 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687477347372 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597231303523 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515437749279 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441430732277 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373300352011 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308831719784 (0.00116173% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246789454556 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187392897125 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131424469458 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.54907895413011 (0.000945564% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029214418771 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603435091 (0.000858009% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936441469369 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894438507597 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472344308 (0.000702235% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214321412 (0.000671456% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940491089 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719124848 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070105016 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460562136 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631157925546 (0.000636238% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598782844302 (0.00058348% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.548569723873994 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403346127 (0.000456344% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919688256 (0.000387195% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976735944 (0.00347744% change)
- linmin: converged after 5 iterations.
- iteration 71: trace = 5.548232222550427 (0.00176188% change)
- linmin: converged after 6 iterations.
- iteration 72: trace = 5.54818008109459 (0.000939789% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373793321 (0.000391252% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 5.548148375778253 (0.000180204% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673477653 (6.67304e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864895084 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.54813883704804 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943205 (7.65593e-05% change)
- linmin: converged after 3 iterations.
- iteration 79: trace = 5.548128746383531 (0.000105316% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 5.548123649320854 (9.187e-05% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 5.548120939114632 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.548119009802893 (3.47742e-05% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.54811826253436 (1.34689e-05% change)
- linmin: converged after 7 iterations.
- iteration 84: trace = 5.548117907882045 (6.3923e-06% change)
- linmin: converged after 23 iterations.
- iteration 85: trace = 5.548117802015849 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686875 (1.08738e-06% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54811772942818 (2.20952e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.548117726415589 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 6 iterations.
- iteration 90: trace = 5.548117725372829 (3.89394e-09% change)
- linmin: converged after 6 iterations.
- iteration 91: trace = 5.548117725334797 (6.8549e-10% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 5.548117725327034 (1.39916e-10% change)
- linmin: converged after 3 iterations.
- iteration 93: trace = 5.548117725324982 (3.6996e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.25699901580810547
-Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1
-Fixing h-field (band 2) phase by 1 + -2.32469e-14i; max ampl. = 5.12967
-Fixing h-field (band 3) phase by -3.17397e-12 + 1i; max ampl. = 4.27896
-Fixing h-field (band 4) phase by -5.91748e-10 + 1i; max ampl. = 4.27882
-Fixing h-field (band 5) phase by 1 + 4.76468e-09i; max ampl. = 1.75894
-Fixing h-field (band 6) phase by 6.59899e-11 + -1i; max ampl. = 3.7555
-Fixing h-field (band 7) phase by 1.31526e-10 + -1i; max ampl. = 3.75555
-Fixing h-field (band 8) phase by 1 + -6.90848e-14i; max ampl. = 4.48388
-.Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489816 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.44158844972254385 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069743 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757014 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677085 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502149 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855883 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.8819770916660692 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650196 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.086072932359415 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052698 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556935 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677085) to band 5 (0.8241814443502149), 1.7739824912428712%
-Gap from band 7 (1.086072932359415) to band 8 (1.0878689635052698), 0.16523267243447132%
-total elapsed time for run: 2.0419132709503174
-done
-/tmp/meepg15Lzl/test_get_eigenvectors-0: 2.05s
-
-/tmp/meepg15Lzl/test_get_hfield-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.001384735107421875
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14516091346740723
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.40599703788757324
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08972907066345215
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.08472681045532227
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09686875343322754
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.15122556686401367
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.11363649368286133
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09917140007019043
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.0828704833984375
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07969832420349121
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07925224304199219
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.06270456314086914
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07350611686706543
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09979009628295898
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11746740341186523
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.2596917152404785
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 2.0442464351654053
-done
-Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388
-./tmp/meepg15Lzl/test_get_hfield-0: 2.05s
-
-/tmp/meepg15Lzl/test_handle_cvector-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (0.866025, 0.5, 0)
- (0.866025, -0.5, 0)
- (0, 0, 1)
-Cell volume = 0.866025
-Reciprocal lattice vectors (/ 2 pi):
- (0.57735, 1, -0)
- (0.57735, -1, 0)
- (-0, 0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.0, 0.1, 0.0>
- Vector3<0.0, 0.2, 0.0>
- Vector3<0.0, 0.30000000000000004, 0.0>
- Vector3<0.0, 0.4, 0.0>
- Vector3<0.0, 0.5, 0.0>
- Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
- Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
- Vector3<-0.2, 0.39999999999999997, 0.0>
- Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
- Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
- Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
- Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
- Vector3<-0.1333333333333333, 0.1333333333333333, 0.0>
- Vector3<-0.06666666666666665, 0.06666666666666665, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0014858245849609375
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 13.46696798403983 (196.169% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 5.440830280549287 (84.8976% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 4.843527011222895 (11.6158% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 4.668700885441982 (3.67582% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.608869323792538 (1.28981% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 4.588596019692742 (0.440845% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.580741637908754 (0.171318% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.578987295163937 (0.0383056% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.578322878448064 (0.0145112% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.578003942463015 (0.00696646% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.577929653765463 (0.00162274% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.577907037545194 (0.000494028% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.577897255801734 (0.000213673% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 4.577895086336259 (4.739e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 4.577894696365646 (8.51856e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.57789463693543 (1.2982e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.577894629221514 (1.68504e-07% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.577894627568718 (3.61038e-08% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 4.577894626939212 (1.3751e-08% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 4.577894626693606 (5.36505e-09% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 4.57789462661256 (1.77038e-09% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 4.577894626584484 (6.1328e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 4.577894626574822 (2.11068e-10% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 4.577894626572792 (4.43323e-11% change)
-Finished solving for bands 2 to 8 after 24 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
-elapsed time for k point: 0.06830310821533203
-solve_kpoint (0,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.573594159720884 (1.05882% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.5533624235809 (0.44334% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 4.549198778889174 (0.0914829% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.547235691259341 (0.0431617% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.546720480078164 (0.0113308% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.546675795887479 (0.000982783% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.546668812199723 (0.0001536% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.546667474444716 (2.94228e-05% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.546667093982199 (8.36794e-06% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.546667026314634 (1.48829e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.546667010167314 (3.55146e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.546667005947763 (9.28054e-08% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.546667004173656 (3.90199e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.546667003528526 (1.41891e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.546667003425869 (2.25786e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 4.546667003411072 (3.25448e-10% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.546667003406389 (1.02987e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.546667003404457 (4.25075e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637
-elapsed time for k point: 0.06254100799560547
-solve_kpoint (0,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.480154501469817 (1.0243% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.462951577211212 (0.384719% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.458417513622179 (0.101645% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.456998073935351 (0.0318424% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.456802317102498 (0.00439222% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.456776714934251 (0.000574453% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.456772279362191 (9.95243e-05% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.456771848143082 (9.67559e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.45677180550385 (9.56729e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.456771799201276 (1.41416e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.456771797345358 (4.16427e-08% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.456771796664019 (1.52877e-08% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.456771796571513 (2.07564e-09% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.456771796564526 (1.56759e-10% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 4.456771796562712 (4.07144e-11% change)
-Finished solving for bands 1 to 8 after 15 iterations.
-tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281
-elapsed time for k point: 0.05242514610290527
-solve_kpoint (0,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.372440119410637 (0.691847% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.366282685668829 (0.140923% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.364947654944967 (0.0305806% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.364626763463701 (0.00735182% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 4.364572744594429 (0.00123766% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.364566107346524 (0.000152071% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.364565316740354 (1.81142e-05% change)
- linmin: converged after 15 iterations.
- iteration 8: trace = 4.364565239126184 (1.77828e-06% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 4.364565234500086 (1.05992e-07% change)
- linmin: converged after 19 iterations.
- iteration 10: trace = 4.364565233724115 (1.77789e-08% change)
- linmin: converged after 12 iterations.
- iteration 11: trace = 4.364565233381509 (7.84974e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.364565233306733 (1.71325e-09% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 4.364565233299627 (1.62798e-10% change)
- linmin: converged after 7 iterations.
- iteration 14: trace = 4.364565233298253 (3.14811e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598
-elapsed time for k point: 0.04916191101074219
-solve_kpoint (0,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.308394919604844 (0.552361% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.304883211984182 (0.0815417% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.304231324865016 (0.0151441% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 4.304101774804951 (0.00300988% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.304072509722035 (0.000679937% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.304070117659418 (5.55767e-05% change)
- linmin: converged after 18 iterations.
- iteration 7: trace = 4.304069984297116 (3.09852e-06% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.304069968915972 (3.57363e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.304069965945503 (6.90153e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.304069964779028 (2.71017e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.304069964479558 (6.95785e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.304069964440695 (9.02919e-10% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 4.304069964437598 (7.1957e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409
-elapsed time for k point: 0.04575967788696289
-solve_kpoint (0,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.287294007238772 (0.514399% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.28412496132847 (0.0739445% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.283595116492537 (0.0123684% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.283502303118704 (0.00216674% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.283478596024279 (0.000553453% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.28347715445874 (3.36541e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.28347707781069 (1.78939e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.283477070330029 (1.7464e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.283477066817817 (8.19944e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.283477065770438 (2.44516e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.283477065633831 (3.18914e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.283477065618207 (3.64749e-10% change)
- linmin: converged after 8 iterations.
- iteration 13: trace = 4.283477065616427 (4.15529e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087
-elapsed time for k point: 0.045610666275024414
-solve_kpoint (-0.0666667,0.466667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.276566747825645 (0.530593% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.266858088831402 (0.227278% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.264882331994834 (0.0463154% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.264548458692773 (0.00782874% change)
- linmin: converged after 15 iterations.
- iteration 5: trace = 4.264488730548915 (0.00140058% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.264476449097829 (0.000287994% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.264474782181724 (3.90884e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.264474642738403 (3.26988e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.264474631967129 (2.52581e-07% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.264474631257338 (1.66443e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.264474631203496 (1.26256e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.264474631199773 (8.73084e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895
-elapsed time for k point: 0.04230952262878418
-solve_kpoint (-0.133333,0.433333,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.232489072565515 (0.358169% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.229105412374748 (0.0799769% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.228655882204029 (0.01063% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.228604967100096 (0.00120406% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.228597156343835 (0.000184713% change)
- linmin: converged after 15 iterations.
- iteration 6: trace = 4.228595847507817 (3.0952e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.228595668484542 (4.23363e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.22859565366972 (3.50349e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.228595652361874 (3.09286e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.228595652271399 (2.1396e-09% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.228595652264812 (1.55766e-10% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.228595652264469 (8.10758e-12% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413
-elapsed time for k point: 0.042305707931518555
-solve_kpoint (-0.2,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.198038763849723 (0.248355% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.196704784159248 (0.0317813% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.196585228731935 (0.00284883% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.196578318037076 (0.000164674% change)
- linmin: converged after 11 iterations.
- iteration 5: trace = 4.196577861660908 (1.0875e-05% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.196577824465235 (8.86333e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.196577821831919 (6.27491e-08% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.196577821279777 (1.3157e-08% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.196577821233547 (1.10163e-09% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.19657782122971 (9.14088e-11% change)
-Finished solving for bands 1 to 8 after 10 iterations.
-tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487
-elapsed time for k point: 0.03565788269042969
-solve_kpoint (-0.266667,0.366667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.176560952862595 (0.20622% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.175731928735249 (0.0198514% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.175658188677838 (0.00176593% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.175652343488816 (0.000139983% change)
- linmin: converged after 19 iterations.
- iteration 5: trace = 4.175651823639799 (1.24495e-05% change)
- linmin: converged after 36 iterations.
- iteration 6: trace = 4.175651765087074 (1.40224e-06% change)
- linmin: converged after 25 iterations.
- iteration 7: trace = 4.175651761832761 (7.79355e-08% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.175651761361389 (1.12886e-08% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 4.175651761335722 (6.14694e-10% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.175651761333511 (5.29421e-11% change)
-Finished solving for bands 1 to 8 after 10 iterations.
-tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597
-elapsed time for k point: 0.03598475456237793
-solve_kpoint (-0.333333,0.333333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.169192632974811 (0.188262% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.168494135847975 (0.0167552% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.168418925223787 (0.00180428% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.16841215172734 (0.000162496% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 4.168411725528161 (1.02245e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.168411690634318 (8.37102e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.168411689651685 (2.35733e-08% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.168411689612854 (9.31558e-10% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.168411689609142 (8.90435e-11% change)
-Finished solving for bands 1 to 8 after 9 iterations.
-tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925
-elapsed time for k point: 0.03222823143005371
-Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911
-Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316
-Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953
-Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657
-Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168
-Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186
-Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881
-Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096
-solve_kpoint (-0.266667,0.266667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.201218407861227 (0.720819% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.198256255957312 (0.0705318% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.197890564842538 (0.00871093% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.197857649510743 (0.000784095% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.197854429378011 (7.6709e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.197854075525583 (8.42936e-06% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 4.197854052380287 (5.5136e-07% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.19785405041534 (4.68084e-08% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.197854050317016 (2.34224e-09% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.197854050309859 (1.7049e-10% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.1978540503093 (1.33083e-11% change)
-Finished solving for bands 1 to 8 after 11 iterations.
-tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925
-elapsed time for k point: 0.039075613021850586
-solve_kpoint (-0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.288243522338974 (0.732668% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.283958408011073 (0.099977% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.283371588299238 (0.013699% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.283281438838011 (0.00210466% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.283267824693608 (0.000317844% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 4.28326657937046 (2.90741e-05% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 4.283266497834247 (1.9036e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.283266490102651 (1.80507e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.283266489093189 (2.35676e-08% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.283266489000646 (2.16059e-09% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.283266488991158 (2.21502e-10% change)
- linmin: converged after 11 iterations.
- iteration 12: trace = 4.283266488990683 (1.10938e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199
-elapsed time for k point: 0.04227900505065918
-solve_kpoint (-0.133333,0.133333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.420129679060165 (0.818903% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.412260674164763 (0.178185% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.410633634426059 (0.0368822% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.410197926814338 (0.00987906% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 4.410114427040234 (0.00189335% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.410103889016636 (0.000238952% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.410102421711938 (3.32714e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.410102293698956 (2.90272e-06% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.410102277309537 (3.71634e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.410102274815385 (5.65554e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.410102274561973 (5.74616e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.410102274546353 (3.54196e-10% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 4.410102274545237 (2.53155e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113
-elapsed time for k point: 0.045484304428100586
-solve_kpoint (-0.0666667,0.0666667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.563328932101673 (1.027% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.544560398258617 (0.412138% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.537741031323376 (0.150168% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.535260913319919 (0.0546703% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.534595991553309 (0.0146622% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.534531477384966 (0.00142272% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.534520999244495 (0.000231075% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.534518657738526 (5.16374e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.534517831347481 (1.82245e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.5345176853933 (3.21874e-06% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.534517644423108 (9.03518e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.534517627208908 (3.79626e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.534517623618732 (7.91744e-08% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 4.534517622906264 (1.57121e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.534517622781556 (2.7502e-09% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 4.53451762276076 (4.58611e-10% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 4.5345176227572 (7.85245e-11% change)
-Finished solving for bands 1 to 8 after 17 iterations.
-tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149
-elapsed time for k point: 0.05889773368835449
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.620932082276254 (1.44492% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.585858477331197 (0.761907% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.579350993234815 (0.142004% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.578211771379737 (0.0248805% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.577956393189929 (0.00557828% change)
- linmin: converged after 16 iterations.
- iteration 6: trace = 4.577915173102078 (0.000900408% change)
- linmin: converged after 8 iterations.
- iteration 7: trace = 4.577900193794617 (0.000327209% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.577895724955983 (9.76177e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.577894738564553 (2.15468e-05% change)
- linmin: converged after 10 iterations.
- iteration 10: trace = 4.577894647524367 (1.98869e-06% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.577894631981888 (3.39512e-07% change)
- linmin: converged after 7 iterations.
- iteration 12: trace = 4.577894627560067 (9.65907e-08% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.577894626684431 (1.91275e-08% change)
- linmin: converged after 7 iterations.
- iteration 14: trace = 4.577894626586341 (2.1427e-09% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.577894626573657 (2.77072e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 4.577894626572483 (2.56293e-11% change)
-Finished solving for bands 2 to 8 after 16 iterations.
-tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
-elapsed time for k point: 0.04581880569458008
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0>
-Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0>
-Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506%
-Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974%
-Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144%
-Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158%
-Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939%
-total elapsed time for run: 0.7486302852630615
-done
-Read lattice vectors
-Read Bloch wavevector (-0.333333, 0.333333, 0)
-Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1)
-Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3)
-Found complex vector dataset...
-Input data is rank 2, size 32x32x1.
-Rotating vectors by matrix [ 0.8660254038, 0.5, -0
- 0.5, -0.8660254038, -0
- -0, -0, 1 ]
-Output data 96x83x1.
-real part range: 0 .. 0
-imag part range: 0 .. 0
-real part range: 0 .. 0
-imag part range: 0 .. 0
-real part range: -1.03932 .. 1.03493
-imag part range: -1.08496 .. 1.08496
-./tmp/meepg15Lzl/test_handle_cvector-0: 0.78s
-
-/tmp/meepg15Lzl/test_hermitian_eps-0
-========================
-Initializing eigensolver data
-Computing 10 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 10 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.11, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Initializing mu function...
-Allocating fields...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-10 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.16666666666666666, 0.0, 0.0>
- Vector3<0.3333333333333333, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.16666666666666666, 0.0>
- Vector3<0.5, 0.3333333333333333, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.33333333333333337, 0.33333333333333337, 0.0>
- Vector3<0.16666666666666669, 0.16666666666666669, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0016641616821289062
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10
-Solving for bands 2 to 10...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 46.67690825536735 (188.044% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 20.87201589192944 (76.4036% change)
- linmin: converged after 10 iterations.
- iteration 3: trace = 17.90281367460673 (15.3151% change)
- linmin: converged after 7 iterations.
- iteration 4: trace = 16.44745357201135 (8.47365% change)
- linmin: converged after 7 iterations.
- iteration 5: trace = 15.57503623871558 (5.44878% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 14.93685931084693 (4.18314% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 14.66427204412151 (1.84174% change)
- large trace change predicted (3.90566%)
- linmin: converged after 5 iterations.
- iteration 8: trace = 14.03803967394925 (4.36364% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 13.72475704319461 (2.25685% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 13.44496718978157 (2.05957% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 13.08709458939926 (2.69766% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 12.85444591732123 (1.79364% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 12.55657797174782 (2.3444% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 12.19678333591758 (2.90704% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 11.81712739283433 (3.16197% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 11.41216612913362 (3.48664% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 10.90973448619632 (4.50169% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 10.44959835156425 (4.30853% change)
- linmin: converged after 7 iterations.
- iteration 19: trace = 9.946119693999728 (4.9371% change)
- linmin: converged after 8 iterations.
- iteration 20: trace = 9.604108858104249 (3.49879% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 9.066211132700758 (5.76206% change)
- linmin: converged after 7 iterations.
- iteration 22: trace = 8.754783680320099 (3.49506% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 8.366907716682842 (4.53081% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 8.082023293497876 (3.46387% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 7.760859506072383 (4.05436% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 7.505495003243805 (3.34545% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 7.127998958156258 (5.15934% change)
- linmin: converged after 11 iterations.
- iteration 28: trace = 6.950727436055764 (2.51829% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 6.788207349772075 (2.36583% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 6.663378833341418 (1.85597% change)
- linmin: converged after 8 iterations.
- iteration 31: trace = 6.387397375407015 (4.22935% change)
- linmin: converged after 7 iterations.
- iteration 32: trace = 6.077630099806203 (4.97018% change)
- linmin: converged after 9 iterations.
- iteration 33: trace = 5.845265457472709 (3.89779% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 5.676181876309078 (2.93511% change)
- linmin: converged after 5 iterations.
- iteration 35: trace = 5.533824231205664 (2.53983% change)
- linmin: converged after 10 iterations.
- iteration 36: trace = 5.376187973974618 (2.88975% change)
- linmin: converged after 7 iterations.
- iteration 37: trace = 5.264316137410749 (2.10275% change)
- linmin: converged after 6 iterations.
- iteration 38: trace = 5.138003212054784 (2.42855% change)
- linmin: converged after 7 iterations.
- iteration 39: trace = 5.056109268376328 (1.60669% change)
- linmin: converged after 7 iterations.
- iteration 40: trace = 4.966406354072589 (1.79003% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 4.865793792633924 (2.04659% change)
- linmin: converged after 8 iterations.
- iteration 42: trace = 4.755591543596198 (2.29078% change)
- linmin: converged after 8 iterations.
- iteration 43: trace = 4.669630998346893 (1.82405% change)
- linmin: converged after 8 iterations.
- iteration 44: trace = 4.618919953560653 (1.0919% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 4.558826347512805 (1.30955% change)
- linmin: converged after 5 iterations.
- iteration 46: trace = 4.516268796384417 (0.937898% change)
- linmin: converged after 5 iterations.
- iteration 47: trace = 4.466855897051691 (1.10013% change)
- linmin: converged after 7 iterations.
- iteration 48: trace = 4.402172815963693 (1.45863% change)
- linmin: converged after 6 iterations.
- iteration 49: trace = 4.348894165981942 (1.21765% change)
- linmin: converged after 6 iterations.
- iteration 50: trace = 4.277264475657445 (1.66076% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 4.218023563650445 (1.39468% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 4.155509345171562 (1.49314% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 4.094398066584754 (1.4815% change)
- linmin: converged after 7 iterations.
- iteration 54: trace = 4.000043134875538 (2.33135% change)
- linmin: converged after 5 iterations.
- iteration 55: trace = 3.922502571777799 (1.95747% change)
- linmin: converged after 8 iterations.
- iteration 56: trace = 3.850088394081112 (1.86332% change)
- linmin: converged after 7 iterations.
- iteration 57: trace = 3.791821935313555 (1.52492% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 3.753050708507767 (1.02775% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 3.719648814645396 (0.893971% change)
- linmin: converged after 6 iterations.
- iteration 60: trace = 3.691349243816827 (0.763718% change)
- linmin: converged after 6 iterations.
- iteration 61: trace = 3.665517698636417 (0.702243% change)
- linmin: converged after 5 iterations.
- iteration 62: trace = 3.642774923950771 (0.622383% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 3.621632257764969 (0.582089% change)
- linmin: converged after 6 iterations.
- iteration 64: trace = 3.604354313198482 (0.478217% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 3.588974738288043 (0.427607% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 3.575630801714686 (0.372496% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 3.563562104542054 (0.338097% change)
- linmin: converged after 6 iterations.
- iteration 68: trace = 3.551359863705462 (0.343004% change)
- linmin: converged after 6 iterations.
- iteration 69: trace = 3.539576087021361 (0.332362% change)
- resetting CG direction...
- large trace change predicted (2.94865%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 3.431405225034667 (3.10346% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 3.364606599918429 (1.96582% change)
- linmin: converged after 5 iterations.
- iteration 72: trace = 3.333178753762374 (0.938455% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 3.327511374845806 (0.170174% change)
- large trace change predicted (0.554837%)
- linmin: converged after 5 iterations.
- iteration 74: trace = 3.30839581049568 (0.576125% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 3.303101990445036 (0.16014% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 3.295500168802517 (0.230407% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 3.28807355346897 (0.22561% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 3.281432543666933 (0.202177% change)
- linmin: converged after 6 iterations.
- iteration 79: trace = 3.268340966472334 (0.399757% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 3.263337195175677 (0.153215% change)
- large trace change predicted (0.729751%)
- linmin: converged after 5 iterations.
- iteration 81: trace = 3.239916775785054 (0.720268% change)
- linmin: converged after 6 iterations.
- iteration 82: trace = 3.220325377463571 (0.606522% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 3.198541316604321 (0.678751% change)
- linmin: converged after 4 iterations.
- iteration 84: trace = 3.177521915924397 (0.659322% change)
- linmin: converged after 5 iterations.
- iteration 85: trace = 3.158689441282762 (0.59444% change)
- linmin: converged after 4 iterations.
- iteration 86: trace = 3.124351619672183 (1.09303% change)
- linmin: converged after 4 iterations.
- iteration 87: trace = 3.115938154199683 (0.26965% change)
- large trace change predicted (0.80553%)
- linmin: converged after 4 iterations.
- iteration 88: trace = 3.091192470229429 (0.797331% change)
- linmin: converged after 5 iterations.
- iteration 89: trace = 3.081043078189253 (0.328872% change)
- linmin: converged after 8 iterations.
- iteration 90: trace = 3.068578063540339 (0.405391% change)
- linmin: converged after 6 iterations.
- iteration 91: trace = 3.058935697216242 (0.314724% change)
- linmin: converged after 5 iterations.
- iteration 92: trace = 3.05180850737605 (0.233267% change)
- linmin: converged after 3 iterations.
- iteration 93: trace = 3.039400873174168 (0.407395% change)
- linmin: converged after 6 iterations.
- iteration 94: trace = 3.036435748683464 (0.0976038% change)
- large trace change predicted (0.289199%)
- linmin: converged after 7 iterations.
- iteration 95: trace = 3.027689317351538 (0.288465% change)
- linmin: converged after 5 iterations.
- iteration 96: trace = 3.025436115933095 (0.0744475% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 3.022123370988173 (0.109556% change)
- linmin: converged after 8 iterations.
- iteration 98: trace = 3.019557672499226 (0.0849333% change)
- linmin: converged after 5 iterations.
- iteration 99: trace = 3.017617454341009 (0.0642757% change)
- large trace change predicted (0.199216%)
- linmin: converged after 6 iterations.
- iteration 100: trace = 3.011702812029835 (0.196196% change)
- linmin: converged after 5 iterations.
- iteration 101: trace = 3.008822242129416 (0.0956917% change)
- large trace change predicted (0.494575%)
- linmin: converged after 7 iterations.
- iteration 102: trace = 2.993101363818678 (0.523861% change)
- large trace change predicted (2.76676%)
- linmin: converged after 11 iterations.
- iteration 103: trace = 2.971607966586401 (0.720685% change)
- linmin: converged after 6 iterations.
- iteration 104: trace = 2.966426041934485 (0.174533% change)
- linmin: converged after 7 iterations.
- iteration 105: trace = 2.962576916432998 (0.129841% change)
- linmin: converged after 4 iterations.
- iteration 106: trace = 2.959663417317667 (0.0983918% change)
- linmin: converged after 4 iterations.
- iteration 107: trace = 2.957613910125768 (0.069272% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 2.956027948354737 (0.0536374% change)
- linmin: converged after 4 iterations.
- iteration 109: trace = 2.954446405928148 (0.0535166% change)
- linmin: converged after 4 iterations.
- iteration 110: trace = 2.952644656961998 (0.0610029% change)
- linmin: converged after 7 iterations.
- iteration 111: trace = 2.950800299587361 (0.0624841% change)
- linmin: converged after 5 iterations.
- iteration 112: trace = 2.949162275119235 (0.0555266% change)
- linmin: converged after 5 iterations.
- iteration 113: trace = 2.947680347043586 (0.0502617% change)
- linmin: converged after 5 iterations.
- iteration 114: trace = 2.946173844337002 (0.0511211% change)
- linmin: converged after 4 iterations.
- iteration 115: trace = 2.944665514272482 (0.0512093% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 2.943386753096056 (0.0434358% change)
- linmin: converged after 8 iterations.
- iteration 117: trace = 2.942362730441001 (0.0347967% change)
- linmin: converged after 6 iterations.
- iteration 118: trace = 2.941372078288963 (0.0336743% change)
- linmin: converged after 6 iterations.
- iteration 119: trace = 2.940246560501752 (0.0382724% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 2.939085641698362 (0.0394915% change)
- linmin: converged after 6 iterations.
- iteration 121: trace = 2.938048946889208 (0.0352789% change)
- linmin: converged after 7 iterations.
- iteration 122: trace = 2.937029634222545 (0.0346995% change)
- linmin: converged after 4 iterations.
- iteration 123: trace = 2.93578498323623 (0.0423869% change)
- linmin: converged after 4 iterations.
- iteration 124: trace = 2.934266526562438 (0.0517357% change)
- linmin: converged after 4 iterations.
- iteration 125: trace = 2.932753457184486 (0.0515788% change)
- linmin: converged after 6 iterations.
- iteration 126: trace = 2.931392951500543 (0.0464008% change)
- linmin: converged after 4 iterations.
- iteration 127: trace = 2.930045864154609 (0.0459644% change)
- linmin: converged after 4 iterations.
- iteration 128: trace = 2.928604937066982 (0.0491897% change)
- linmin: converged after 4 iterations.
- iteration 129: trace = 2.927186353523649 (0.0484506% change)
- linmin: converged after 5 iterations.
- iteration 130: trace = 2.92592607553319 (0.0430635% change)
- linmin: converged after 7 iterations.
- iteration 131: trace = 2.924738046286078 (0.0406118% change)
- linmin: converged after 5 iterations.
- iteration 132: trace = 2.923387162526266 (0.0461989% change)
- linmin: converged after 4 iterations.
- iteration 133: trace = 2.921694777691809 (0.057908% change)
- linmin: converged after 4 iterations.
- iteration 134: trace = 2.919767635225542 (0.0659815% change)
- linmin: converged after 4 iterations.
- iteration 135: trace = 2.917896313499875 (0.064112% change)
- linmin: converged after 4 iterations.
- iteration 136: trace = 2.91617931683536 (0.058861% change)
- linmin: converged after 5 iterations.
- iteration 137: trace = 2.914507630833452 (0.057341% change)
- linmin: converged after 5 iterations.
- iteration 138: trace = 2.912775780152054 (0.0594394% change)
- linmin: converged after 5 iterations.
- iteration 139: trace = 2.911010765359506 (0.060614% change)
- resetting CG direction...
- large trace change predicted (0.793722%)
- linmin: converged after 4 iterations.
- iteration 140: trace = 2.888445434845293 (0.778188% change)
- large trace change predicted (2.41109%)
- linmin: converged after 6 iterations.
- iteration 141: trace = 2.824395301475856 (2.24232% change)
- linmin: converged after 6 iterations.
- iteration 142: trace = 2.788318376203819 (1.28554% change)
- linmin: converged after 4 iterations.
- iteration 143: trace = 2.760124165776621 (1.01629% change)
- linmin: converged after 4 iterations.
- iteration 144: trace = 2.747302232502843 (0.465623% change)
- linmin: converged after 3 iterations.
- iteration 145: trace = 2.742808570144592 (0.1637% change)
- linmin: converged after 4 iterations.
- iteration 146: trace = 2.736559669694309 (0.228088% change)
- linmin: converged after 7 iterations.
- iteration 147: trace = 2.734950084071833 (0.0588352% change)
- linmin: converged after 10 iterations.
- iteration 148: trace = 2.732082394813406 (0.104908% change)
- linmin: converged after 5 iterations.
- iteration 149: trace = 2.731340115523151 (0.0271727% change)
- large trace change predicted (0.066467%)
- linmin: converged after 7 iterations.
- iteration 150: trace = 2.729522161691801 (0.0665812% change)
- linmin: converged after 4 iterations.
- iteration 151: trace = 2.72891463549496 (0.0222601% change)
- linmin: converged after 4 iterations.
- iteration 152: trace = 2.727938453189785 (0.0357782% change)
- linmin: converged after 6 iterations.
- iteration 153: trace = 2.727649314412402 (0.0105997% change)
- large trace change predicted (0.0314719%)
- linmin: converged after 5 iterations.
- iteration 154: trace = 2.726791830859148 (0.0314417% change)
- linmin: converged after 5 iterations.
- iteration 155: trace = 2.726414202246866 (0.0138498% change)
- large trace change predicted (0.0747307%)
- linmin: converged after 4 iterations.
- iteration 156: trace = 2.724395467475787 (0.074071% change)
- linmin: converged after 4 iterations.
- iteration 157: trace = 2.723687992722442 (0.0259715% change)
- linmin: converged after 4 iterations.
- iteration 158: trace = 2.722564479351532 (0.0412582% change)
- linmin: converged after 6 iterations.
- iteration 159: trace = 2.721742641544374 (0.0301907% change)
- linmin: converged after 6 iterations.
- iteration 160: trace = 2.720173117539718 (0.0576828% change)
- linmin: converged after 4 iterations.
- iteration 161: trace = 2.719126934528914 (0.0384676% change)
- large trace change predicted (0.105576%)
- linmin: converged after 4 iterations.
- iteration 162: trace = 2.716260242702058 (0.105483% change)
- linmin: converged after 5 iterations.
- iteration 163: trace = 2.715293689117474 (0.0355903% change)
- large trace change predicted (0.139385%)
- linmin: converged after 4 iterations.
- iteration 164: trace = 2.711486071436141 (0.140327% change)
- linmin: converged after 4 iterations.
- iteration 165: trace = 2.710549551642114 (0.034545% change)
- large trace change predicted (0.088161%)
- linmin: converged after 4 iterations.
- iteration 166: trace = 2.708140625122256 (0.0889118% change)
- linmin: converged after 7 iterations.
- iteration 167: trace = 2.707016991616928 (0.0414996% change)
- linmin: converged after 6 iterations.
- iteration 168: trace = 2.705086517550507 (0.0713391% change)
- linmin: converged after 6 iterations.
- iteration 169: trace = 2.704249185579521 (0.0309588% change)
- linmin: converged after 6 iterations.
- iteration 170: trace = 2.70286697756975 (0.0511255% change)
- linmin: converged after 6 iterations.
- iteration 171: trace = 2.702314851114448 (0.0204295% change)
- large trace change predicted (0.0431886%)
- linmin: converged after 6 iterations.
- iteration 172: trace = 2.701148865822604 (0.043157% change)
- linmin: converged after 6 iterations.
- iteration 173: trace = 2.700717737994567 (0.0159622% change)
- linmin: converged after 5 iterations.
- iteration 174: trace = 2.699926496369319 (0.0293017% change)
- linmin: converged after 9 iterations.
- iteration 175: trace = 2.699504711326707 (0.0156233% change)
- linmin: converged after 4 iterations.
- iteration 176: trace = 2.698895228285984 (0.0225801% change)
- linmin: converged after 5 iterations.
- iteration 177: trace = 2.69845248627361 (0.0164059% change)
- linmin: converged after 4 iterations.
- iteration 178: trace = 2.697993927855573 (0.0169948% change)
- linmin: converged after 9 iterations.
- iteration 179: trace = 2.697465798470492 (0.0195768% change)
- linmin: converged after 4 iterations.
- iteration 180: trace = 2.696665529696999 (0.0296718% change)
- linmin: converged after 7 iterations.
- iteration 181: trace = 2.696203637949456 (0.0171297% change)
- large trace change predicted (0.0347105%)
- linmin: converged after 5 iterations.
- iteration 182: trace = 2.695266855519616 (0.0347505% change)
- linmin: converged after 5 iterations.
- iteration 183: trace = 2.694439958230504 (0.0306843% change)
- large trace change predicted (0.0624104%)
- linmin: converged after 9 iterations.
- iteration 184: trace = 2.692752798118185 (0.062636% change)
- linmin: converged after 8 iterations.
- iteration 185: trace = 2.690742143608226 (0.074697% change)
- linmin: converged after 5 iterations.
- iteration 186: trace = 2.687553625591221 (0.11857% change)
- linmin: converged after 10 iterations.
- iteration 187: trace = 2.685786271118345 (0.0657823% change)
- large trace change predicted (0.272422%)
- linmin: converged after 5 iterations.
- iteration 188: trace = 2.678469038850558 (0.272814% change)
- linmin: converged after 5 iterations.
- iteration 189: trace = 2.675875271270749 (0.0968846% change)
- large trace change predicted (0.339205%)
- linmin: converged after 4 iterations.
- iteration 190: trace = 2.666749429302875 (0.341624% change)
- linmin: converged after 5 iterations.
- iteration 191: trace = 2.662935791754209 (0.143109% change)
- linmin: converged after 5 iterations.
- iteration 192: trace = 2.657097947243713 (0.219466% change)
- linmin: converged after 5 iterations.
- iteration 193: trace = 2.653500798862163 (0.135471% change)
- linmin: converged after 6 iterations.
- iteration 194: trace = 2.648519701485342 (0.187894% change)
- linmin: converged after 4 iterations.
- iteration 195: trace = 2.645319196327754 (0.120914% change)
- linmin: converged after 4 iterations.
- iteration 196: trace = 2.643049563980745 (0.0858349% change)
- linmin: converged after 5 iterations.
- iteration 197: trace = 2.639077161842874 (0.150409% change)
- linmin: converged after 7 iterations.
- iteration 198: trace = 2.637980234339716 (0.0415735% change)
- large trace change predicted (0.120144%)
- linmin: converged after 4 iterations.
- iteration 199: trace = 2.634788372723134 (0.12107% change)
- linmin: converged after 5 iterations.
- iteration 200: trace = 2.633992269155724 (0.0302197% change)
- large trace change predicted (0.0843001%)
- linmin: converged after 3 iterations.
- iteration 201: trace = 2.631753617625737 (0.0850269% change)
- linmin: converged after 6 iterations.
- iteration 202: trace = 2.630651895620766 (0.0418714% change)
- large trace change predicted (0.0971038%)
- linmin: converged after 9 iterations.
- iteration 203: trace = 2.628077536137525 (0.097908% change)
- linmin: converged after 4 iterations.
- iteration 204: trace = 2.626793183488546 (0.0488824% change)
- large trace change predicted (0.142943%)
- linmin: converged after 3 iterations.
- iteration 205: trace = 2.622986080692303 (0.145039% change)
- linmin: converged after 4 iterations.
- iteration 206: trace = 2.621383996907963 (0.0610973% change)
- large trace change predicted (0.232967%)
- linmin: converged after 4 iterations.
- iteration 207: trace = 2.615139473869272 (0.238499% change)
- linmin: converged after 3 iterations.
- iteration 208: trace = 2.612611956167025 (0.0966962% change)
- large trace change predicted (0.273615%)
- linmin: converged after 4 iterations.
- iteration 209: trace = 2.605294546018591 (0.280473% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 210: trace = 2.602501639585325 (0.107259% change)
- linmin: converged after 4 iterations.
- iteration 211: trace = 2.598226783311826 (0.164395% change)
- linmin: converged after 4 iterations.
- iteration 212: trace = 2.595438442445011 (0.107375% change)
- linmin: converged after 4 iterations.
- iteration 213: trace = 2.593716854831667 (0.0663533% change)
- large trace change predicted (0.153318%)
- linmin: converged after 4 iterations.
- iteration 214: trace = 2.589741715718366 (0.153378% change)
- linmin: converged after 5 iterations.
- iteration 215: trace = 2.588707419123327 (0.0399462% change)
- large trace change predicted (0.210518%)
- linmin: converged after 6 iterations.
- iteration 216: trace = 2.583253193893322 (0.210915% change)
- linmin: converged after 9 iterations.
- iteration 217: trace = 2.581730199574025 (0.0589738% change)
- large trace change predicted (0.133263%)
- linmin: converged after 5 iterations.
- iteration 218: trace = 2.578286680822565 (0.133469% change)
- linmin: converged after 7 iterations.
- iteration 219: trace = 2.575897179422247 (0.0927208% change)
- linmin: converged after 4 iterations.
- iteration 220: trace = 2.572968263562473 (0.113769% change)
- linmin: converged after 3 iterations.
- iteration 221: trace = 2.568394298969082 (0.177928% change)
- linmin: converged after 7 iterations.
- iteration 222: trace = 2.565762350762913 (0.102527% change)
- large trace change predicted (0.271659%)
- linmin: converged after 3 iterations.
- iteration 223: trace = 2.558743056249501 (0.27395% change)
- linmin: converged after 4 iterations.
- iteration 224: trace = 2.555855356893964 (0.11292% change)
- large trace change predicted (0.383531%)
- linmin: converged after 4 iterations.
- iteration 225: trace = 2.545964046426559 (0.387756% change)
- linmin: converged after 4 iterations.
- iteration 226: trace = 2.542272455031843 (0.145103% change)
- large trace change predicted (0.357961%)
- linmin: converged after 3 iterations.
- iteration 227: trace = 2.533094064316798 (0.361684% change)
- linmin: converged after 4 iterations.
- iteration 228: trace = 2.529281986486796 (0.150604% change)
- large trace change predicted (0.341752%)
- linmin: converged after 3 iterations.
- iteration 229: trace = 2.520565177206163 (0.345231% change)
- linmin: converged after 5 iterations.
- iteration 230: trace = 2.518048803871747 (0.0998836% change)
- large trace change predicted (0.265439%)
- linmin: converged after 4 iterations.
- iteration 231: trace = 2.511316892458201 (0.267704% change)
- linmin: converged after 7 iterations.
- iteration 232: trace = 2.510042722318929 (0.05075% change)
- large trace change predicted (0.139546%)
- linmin: converged after 3 iterations.
- iteration 233: trace = 2.50652768321382 (0.140137% change)
- linmin: converged after 6 iterations.
- iteration 234: trace = 2.50570701660063 (0.0327465% change)
- large trace change predicted (0.0895116%)
- linmin: converged after 6 iterations.
- iteration 235: trace = 2.503462764984659 (0.0896057% change)
- linmin: converged after 5 iterations.
- iteration 236: trace = 2.502020878554722 (0.0576123% change)
- linmin: converged after 3 iterations.
- iteration 237: trace = 2.499357133046416 (0.10652% change)
- linmin: converged after 4 iterations.
- iteration 238: trace = 2.498060229272503 (0.051903% change)
- large trace change predicted (0.134377%)
- linmin: converged after 3 iterations.
- iteration 239: trace = 2.494680578926055 (0.135383% change)
- linmin: converged after 3 iterations.
- iteration 240: trace = 2.492784206177824 (0.0760456% change)
- linmin: converged after 3 iterations.
- iteration 241: trace = 2.489548510931036 (0.129887% change)
- linmin: converged after 3 iterations.
- iteration 242: trace = 2.485323205274456 (0.169866% change)
- linmin: converged after 4 iterations.
- iteration 243: trace = 2.483243378713432 (0.0837194% change)
- large trace change predicted (0.199061%)
- linmin: converged after 3 iterations.
- iteration 244: trace = 2.478260870991282 (0.200847% change)
- linmin: converged after 8 iterations.
- iteration 245: trace = 2.476663235827183 (0.0644868% change)
- large trace change predicted (0.23638%)
- linmin: converged after 3 iterations.
- iteration 246: trace = 2.470771800393848 (0.238161% change)
- linmin: converged after 4 iterations.
- iteration 247: trace = 2.467263022187214 (0.142112% change)
- linmin: converged after 4 iterations.
- iteration 248: trace = 2.463512827262804 (0.152114% change)
- linmin: converged after 3 iterations.
- iteration 249: trace = 2.460173715285887 (0.135635% change)
- linmin: converged after 4 iterations.
- iteration 250: trace = 2.458464637430362 (0.0694939% change)
- large trace change predicted (0.161944%)
- linmin: converged after 3 iterations.
- iteration 251: trace = 2.454447849151615 (0.16352% change)
- linmin: converged after 4 iterations.
- iteration 252: trace = 2.452898905318962 (0.0631275% change)
- large trace change predicted (0.134015%)
- linmin: converged after 3 iterations.
- iteration 253: trace = 2.449577914497606 (0.135482% change)
- linmin: converged after 3 iterations.
- iteration 254: trace = 2.448630132296462 (0.0386991% change)
- linmin: converged after 4 iterations.
- iteration 255: trace = 2.447792953309919 (0.0341955% change)
- linmin: converged after 4 iterations.
- iteration 256: trace = 2.447309279190399 (0.0197616% change)
- linmin: converged after 5 iterations.
- iteration 257: trace = 2.447075084348053 (0.00956994% change)
- large trace change predicted (0.0198404%)
- linmin: converged after 3 iterations.
- iteration 258: trace = 2.446589451158328 (0.0198474% change)
- linmin: converged after 5 iterations.
- iteration 259: trace = 2.44643885622507 (0.00615549% change)
- large trace change predicted (0.0328875%)
- linmin: converged after 3 iterations.
- iteration 260: trace = 2.445633996009991 (0.0329047% change)
- linmin: converged after 6 iterations.
- iteration 261: trace = 2.445318466412624 (0.0129026% change)
- large trace change predicted (0.0608575%)
- linmin: converged after 3 iterations.
- iteration 262: trace = 2.443826921509546 (0.0610145% change)
- linmin: converged after 8 iterations.
- iteration 263: trace = 2.442960129708474 (0.0354749% change)
- large trace change predicted (0.0929087%)
- linmin: converged after 3 iterations.
- iteration 264: trace = 2.440675969398874 (0.0935434% change)
- linmin: converged after 4 iterations.
- iteration 265: trace = 2.439708508065579 (0.0396469% change)
- large trace change predicted (0.147496%)
- linmin: converged after 3 iterations.
- iteration 266: trace = 2.436077919336658 (0.148923% change)
- linmin: converged after 7 iterations.
- iteration 267: trace = 2.434989871206461 (0.0446739% change)
- large trace change predicted (0.13501%)
- linmin: converged after 3 iterations.
- iteration 268: trace = 2.431673039558048 (0.136308% change)
- linmin: converged after 4 iterations.
- iteration 269: trace = 2.430791547543352 (0.036257% change)
- large trace change predicted (0.0924884%)
- linmin: converged after 3 iterations.
- iteration 270: trace = 2.428532709530431 (0.0929692% change)
- linmin: converged after 4 iterations.
- iteration 271: trace = 2.428080183817308 (0.0186354% change)
- linmin: converged after 3 iterations.
- iteration 272: trace = 2.427352276899583 (0.0299832% change)
- linmin: converged after 5 iterations.
- iteration 273: trace = 2.427093882290142 (0.0106457% change)
- linmin: converged after 3 iterations.
- iteration 274: trace = 2.426602493386211 (0.020248% change)
- linmin: converged after 5 iterations.
- iteration 275: trace = 2.426458650763427 (0.00592791% change)
- large trace change predicted (0.0145955%)
- linmin: converged after 3 iterations.
- iteration 276: trace = 2.42610420864135 (0.0146085% change)
- linmin: converged after 9 iterations.
- iteration 277: trace = 2.426001026018845 (0.00425311% change)
- large trace change predicted (0.0130293%)
- linmin: converged after 4 iterations.
- iteration 278: trace = 2.425684744039484 (0.013038% change)
- linmin: converged after 4 iterations.
- iteration 279: trace = 2.425547908904644 (0.00564125% change)
- resetting CG direction...
- linmin: converged after 6 iterations.
- iteration 280: trace = 2.425456432332552 (0.00377145% change)
- linmin: converged after 3 iterations.
- iteration 281: trace = 2.425329023523761 (0.00525312% change)
- linmin: converged after 3 iterations.
- iteration 282: trace = 2.425209263141928 (0.00493802% change)
- linmin: converged after 5 iterations.
- iteration 283: trace = 2.425139361694731 (0.00288233% change)
- large trace change predicted (0.0101575%)
- linmin: converged after 4 iterations.
- iteration 284: trace = 2.424892873652419 (0.0101644% change)
- linmin: converged after 4 iterations.
- iteration 285: trace = 2.424794217343377 (0.00406856% change)
- large trace change predicted (0.0152137%)
- linmin: converged after 3 iterations.
- iteration 286: trace = 2.424425233233391 (0.0152183% change)
- linmin: converged after 4 iterations.
- iteration 287: trace = 2.423886327780014 (0.0222306% change)
- linmin: converged after 5 iterations.
- iteration 288: trace = 2.423609126297221 (0.0114369% change)
- large trace change predicted (0.0278068%)
- linmin: converged after 3 iterations.
- iteration 289: trace = 2.422934176240295 (0.0278528% change)
- linmin: converged after 7 iterations.
- iteration 290: trace = 2.422182661303272 (0.0310215% change)
- linmin: converged after 4 iterations.
- iteration 291: trace = 2.421816113520184 (0.0151341% change)
- linmin: converged after 3 iterations.
- iteration 292: trace = 2.421092952299891 (0.0298647% change)
- linmin: converged after 8 iterations.
- iteration 293: trace = 2.420928853410942 (0.00677811% change)
- linmin: converged after 3 iterations.
- iteration 294: trace = 2.420614966273286 (0.0129664% change)
- linmin: converged after 3 iterations.
- iteration 295: trace = 2.420423391102427 (0.00791463% change)
- linmin: converged after 4 iterations.
- iteration 296: trace = 2.420351654383627 (0.00296385% change)
- linmin: converged after 4 iterations.
- iteration 297: trace = 2.420227943006071 (0.00511143% change)
- linmin: converged after 4 iterations.
- iteration 298: trace = 2.420056192437012 (0.00709671% change)
- linmin: converged after 5 iterations.
- iteration 299: trace = 2.41997922460286 (0.00318047% change)
- large trace change predicted (0.00933409%)
- linmin: converged after 4 iterations.
- iteration 300: trace = 2.419753538390246 (0.00932639% change)
- linmin: converged after 5 iterations.
- iteration 301: trace = 2.419685427916214 (0.00281481% change)
- large trace change predicted (0.00607762%)
- linmin: converged after 8 iterations.
- iteration 302: trace = 2.419538451023052 (0.0060744% change)
- linmin: converged after 6 iterations.
- iteration 303: trace = 2.419396855475916 (0.00585234% change)
- linmin: converged after 4 iterations.
- iteration 304: trace = 2.419347300034381 (0.00204828% change)
- large trace change predicted (0.00847111%)
- linmin: converged after 6 iterations.
- iteration 305: trace = 2.419142483385138 (0.00846614% change)
- linmin: converged after 7 iterations.
- iteration 306: trace = 2.419070004982281 (0.00299608% change)
- large trace change predicted (0.0116725%)
- linmin: converged after 5 iterations.
- iteration 307: trace = 2.418787686606084 (0.0116712% change)
- linmin: converged after 6 iterations.
- iteration 308: trace = 2.418489990653812 (0.0123084% change)
- linmin: converged after 5 iterations.
- iteration 309: trace = 2.418281992445798 (0.0086007% change)
- large trace change predicted (0.0215931%)
- linmin: converged after 6 iterations.
- iteration 310: trace = 2.417760276407096 (0.0215762% change)
- linmin: converged after 5 iterations.
- iteration 311: trace = 2.417435188649911 (0.0134467% change)
- linmin: converged after 6 iterations.
- iteration 312: trace = 2.416805750619196 (0.0260408% change)
- linmin: converged after 7 iterations.
- iteration 313: trace = 2.416320700337448 (0.0200719% change)
- linmin: converged after 5 iterations.
- iteration 314: trace = 2.416241788340399 (0.00326584% change)
- large trace change predicted (0.00695951%)
- linmin: converged after 4 iterations.
- iteration 315: trace = 2.416073670003391 (0.00695809% change)
- linmin: converged after 6 iterations.
- iteration 316: trace = 2.41601284513149 (0.00251754% change)
- linmin: converged after 4 iterations.
- iteration 317: trace = 2.415961263335417 (0.00213502% change)
- large trace change predicted (0.0043315%)
- linmin: converged after 7 iterations.
- iteration 318: trace = 2.415856617529764 (0.00433153% change)
- linmin: converged after 5 iterations.
- iteration 319: trace = 2.415830097387928 (0.00109776% change)
- large trace change predicted (0.00369501%)
- linmin: converged after 5 iterations.
- iteration 320: trace = 2.415740854367253 (0.00369416% change)
- linmin: converged after 5 iterations.
- iteration 321: trace = 2.415707298352126 (0.00138907% change)
- large trace change predicted (0.00444085%)
- linmin: converged after 3 iterations.
- iteration 322: trace = 2.415600078669746 (0.00443854% change)
- linmin: converged after 5 iterations.
- iteration 323: trace = 2.415491021179368 (0.00451482% change)
- linmin: converged after 5 iterations.
- iteration 324: trace = 2.415410490161924 (0.003334% change)
- linmin: converged after 4 iterations.
- iteration 325: trace = 2.415254944952951 (0.00643991% change)
- linmin: converged after 4 iterations.
- iteration 326: trace = 2.415046129890972 (0.00864605% change)
- linmin: converged after 3 iterations.
- iteration 327: trace = 2.414972277783549 (0.00305805% change)
- large trace change predicted (0.00705234%)
- linmin: converged after 4 iterations.
- iteration 328: trace = 2.41480187476109 (0.00705636% change)
- linmin: converged after 4 iterations.
- iteration 329: trace = 2.414693138410026 (0.00450301% change)
- linmin: converged after 4 iterations.
- iteration 330: trace = 2.414626182250977 (0.0027729% change)
- large trace change predicted (0.00596213%)
- linmin: converged after 5 iterations.
- iteration 331: trace = 2.41448221362451 (0.00596253% change)
- linmin: converged after 4 iterations.
- iteration 332: trace = 2.414448144180044 (0.00141106% change)
- large trace change predicted (0.00381542%)
- linmin: converged after 3 iterations.
- iteration 333: trace = 2.414356026994811 (0.00381532% change)
- linmin: converged after 4 iterations.
- iteration 334: trace = 2.414292217436085 (0.00264296% change)
- linmin: converged after 6 iterations.
- iteration 335: trace = 2.414274976961073 (0.000714103% change)
- linmin: converged after 5 iterations.
- iteration 336: trace = 2.41424749585838 (0.00113828% change)
- linmin: converged after 5 iterations.
- iteration 337: trace = 2.414228923824201 (0.000769271% change)
- linmin: converged after 5 iterations.
- iteration 338: trace = 2.414219112327275 (0.000406404% change)
- large trace change predicted (0.00175654%)
- linmin: converged after 5 iterations.
- iteration 339: trace = 2.414176701400069 (0.00175673% change)
- linmin: converged after 5 iterations.
- iteration 340: trace = 2.414164289373766 (0.000514132% change)
- large trace change predicted (0.00362285%)
- linmin: converged after 3 iterations.
- iteration 341: trace = 2.414076812566992 (0.00362355% change)
- linmin: converged after 5 iterations.
- iteration 342: trace = 2.41393565185639 (0.00584757% change)
- linmin: converged after 5 iterations.
- iteration 343: trace = 2.413841194268387 (0.00391309% change)
- large trace change predicted (0.0112809%)
- linmin: converged after 4 iterations.
- iteration 344: trace = 2.413568614311757 (0.011293% change)
- linmin: converged after 5 iterations.
- iteration 345: trace = 2.413477319728524 (0.00378263% change)
- large trace change predicted (0.0111679%)
- linmin: converged after 3 iterations.
- iteration 346: trace = 2.413207365570949 (0.0111859% change)
- linmin: converged after 5 iterations.
- iteration 347: trace = 2.413070580848645 (0.00566833% change)
- linmin: converged after 5 iterations.
- iteration 348: trace = 2.413030384099815 (0.00166581% change)
- linmin: converged after 3 iterations.
- iteration 349: trace = 2.412977344368873 (0.00219808% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 350: trace = 2.412958092376421 (0.000797855% change)
- linmin: converged after 4 iterations.
- iteration 351: trace = 2.412944186537388 (0.0005763% change)
- large trace change predicted (0.00115838%)
- linmin: converged after 5 iterations.
- iteration 352: trace = 2.412916241354624 (0.00115814% change)
- linmin: converged after 5 iterations.
- iteration 353: trace = 2.412898546131054 (0.000733357% change)
- linmin: converged after 4 iterations.
- iteration 354: trace = 2.41286590797486 (0.00135266% change)
- linmin: converged after 5 iterations.
- iteration 355: trace = 2.412838275273388 (0.00114523% change)
- linmin: converged after 8 iterations.
- iteration 356: trace = 2.412819378003956 (0.0007832% change)
- linmin: converged after 12 iterations.
- iteration 357: trace = 2.412787122255042 (0.00133686% change)
- linmin: converged after 5 iterations.
- iteration 358: trace = 2.412779151682144 (0.000330348% change)
- large trace change predicted (0.00077371%)
- linmin: converged after 4 iterations.
- iteration 359: trace = 2.412760484552215 (0.000773681% change)
- linmin: converged after 5 iterations.
- iteration 360: trace = 2.412735338182783 (0.00104223% change)
- linmin: converged after 7 iterations.
- iteration 361: trace = 2.4127183686781 (0.000703333% change)
- large trace change predicted (0.00185915%)
- linmin: converged after 6 iterations.
- iteration 362: trace = 2.412673508075089 (0.00185936% change)
- linmin: converged after 5 iterations.
- iteration 363: trace = 2.412653995667547 (0.00080875% change)
- large trace change predicted (0.00290444%)
- linmin: converged after 3 iterations.
- iteration 364: trace = 2.412583932793069 (0.00290402% change)
- linmin: converged after 5 iterations.
- iteration 365: trace = 2.412548947115566 (0.00145014% change)
- large trace change predicted (0.00300818%)
- linmin: converged after 4 iterations.
- iteration 366: trace = 2.412476403188062 (0.00300699% change)
- linmin: converged after 3 iterations.
- iteration 367: trace = 2.412401118052748 (0.00312071% change)
- linmin: converged after 5 iterations.
- iteration 368: trace = 2.412370979376927 (0.00124933% change)
- large trace change predicted (0.00294526%)
- linmin: converged after 5 iterations.
- iteration 369: trace = 2.412299940811616 (0.0029448% change)
- linmin: converged after 5 iterations.
- iteration 370: trace = 2.412281881316058 (0.000748645% change)
- linmin: converged after 5 iterations.
- iteration 371: trace = 2.412248577538592 (0.0013806% change)
- linmin: converged after 5 iterations.
- iteration 372: trace = 2.41223860759855 (0.000413306% change)
- linmin: converged after 6 iterations.
- iteration 373: trace = 2.412231359508706 (0.000300472% change)
- linmin: converged after 6 iterations.
- iteration 374: trace = 2.41222132841783 (0.000415844% change)
- linmin: converged after 5 iterations.
- iteration 375: trace = 2.412216242942324 (0.000210821% change)
- large trace change predicted (0.00072922%)
- linmin: converged after 5 iterations.
- iteration 376: trace = 2.412198649038367 (0.000729369% change)
- linmin: converged after 4 iterations.
- iteration 377: trace = 2.412178949939009 (0.000816648% change)
- linmin: converged after 5 iterations.
- iteration 378: trace = 2.41214855897637 (0.0012599% change)
- linmin: converged after 4 iterations.
- iteration 379: trace = 2.412104053526888 (0.00184507% change)
- linmin: converged after 3 iterations.
- iteration 380: trace = 2.412080240623456 (0.00098723% change)
- large trace change predicted (0.00246305%)
- linmin: converged after 6 iterations.
- iteration 381: trace = 2.412020807051376 (0.00246403% change)
- linmin: converged after 15 iterations.
- iteration 382: trace = 2.411973698873427 (0.00195308% change)
- linmin: converged after 4 iterations.
- iteration 383: trace = 2.411903871828019 (0.00289506% change)
- linmin: converged after 5 iterations.
- iteration 384: trace = 2.411801156507217 (0.00425877% change)
- linmin: converged after 6 iterations.
- iteration 385: trace = 2.411731816763695 (0.00287506% change)
- linmin: converged after 3 iterations.
- iteration 386: trace = 2.411598310239355 (0.00553587% change)
- linmin: converged after 4 iterations.
- iteration 387: trace = 2.411529071867097 (0.0028711% change)
- large trace change predicted (0.00740489%)
- linmin: converged after 5 iterations.
- iteration 388: trace = 2.411350480844088 (0.00740599% change)
- linmin: converged after 4 iterations.
- iteration 389: trace = 2.411233800911248 (0.0048389% change)
- linmin: converged after 5 iterations.
- iteration 390: trace = 2.411160048038394 (0.00305877% change)
- linmin: converged after 4 iterations.
- iteration 391: trace = 2.411071925929188 (0.00365483% change)
- linmin: converged after 5 iterations.
- iteration 392: trace = 2.411050622414977 (0.000883574% change)
- linmin: converged after 3 iterations.
- iteration 393: trace = 2.41101385150018 (0.00152511% change)
- linmin: converged after 3 iterations.
- iteration 394: trace = 2.410997394176545 (0.000682592% change)
- linmin: converged after 4 iterations.
- iteration 395: trace = 2.410977271535709 (0.000834622% change)
- linmin: converged after 5 iterations.
- iteration 396: trace = 2.410937309307222 (0.00165753% change)
- linmin: converged after 5 iterations.
- iteration 397: trace = 2.410918125106366 (0.000795719% change)
- large trace change predicted (0.00311544%)
- linmin: converged after 6 iterations.
- iteration 398: trace = 2.410842986991483 (0.00311663% change)
- linmin: converged after 5 iterations.
- iteration 399: trace = 2.41080973393768 (0.00137932% change)
- large trace change predicted (0.00291%)
- linmin: converged after 5 iterations.
- iteration 400: trace = 2.410739532115938 (0.002912% change)
- linmin: converged after 5 iterations.
- iteration 401: trace = 2.410664669274483 (0.00310544% change)
- linmin: converged after 5 iterations.
- iteration 402: trace = 2.410552887049915 (0.0046371% change)
- linmin: converged after 4 iterations.
- iteration 403: trace = 2.410349498574735 (0.00843778% change)
- linmin: converged after 5 iterations.
- iteration 404: trace = 2.410247467713317 (0.00423312% change)
- linmin: converged after 6 iterations.
- iteration 405: trace = 2.410109779272211 (0.00571279% change)
- linmin: converged after 5 iterations.
- iteration 406: trace = 2.410046036568734 (0.00264484% change)
- linmin: converged after 5 iterations.
- iteration 407: trace = 2.409960070641615 (0.00356705% change)
- linmin: converged after 4 iterations.
- iteration 408: trace = 2.409900657652954 (0.00246534% change)
- linmin: converged after 4 iterations.
- iteration 409: trace = 2.4098448769595 (0.00231467% change)
- linmin: converged after 5 iterations.
- iteration 410: trace = 2.409765691820529 (0.00328596% change)
- linmin: converged after 5 iterations.
- iteration 411: trace = 2.40972606929655 (0.00164426% change)
- linmin: converged after 5 iterations.
- iteration 412: trace = 2.409650066208098 (0.00315406% change)
- linmin: converged after 8 iterations.
- iteration 413: trace = 2.409606293325892 (0.00181658% change)
- linmin: converged after 5 iterations.
- iteration 414: trace = 2.409534386414847 (0.00298422% change)
- linmin: converged after 5 iterations.
- iteration 415: trace = 2.409470165137451 (0.00266533% change)
- linmin: converged after 5 iterations.
- iteration 416: trace = 2.409437705109584 (0.00134719% change)
- linmin: converged after 5 iterations.
- iteration 417: trace = 2.409387052082649 (0.0021023% change)
- linmin: converged after 8 iterations.
- iteration 418: trace = 2.409366453536216 (0.000854933% change)
- large trace change predicted (0.0022058%)
- linmin: converged after 5 iterations.
- iteration 419: trace = 2.409313296913291 (0.00220627% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 420: trace = 2.409287425703921 (0.00107381% change)
- linmin: converged after 5 iterations.
- iteration 421: trace = 2.409267190493871 (0.000839887% change)
- large trace change predicted (0.00196727%)
- linmin: converged after 6 iterations.
- iteration 422: trace = 2.409219801679697 (0.00196696% change)
- linmin: converged after 5 iterations.
- iteration 423: trace = 2.409204193177113 (0.000647868% change)
- large trace change predicted (0.00309081%)
- linmin: converged after 4 iterations.
- iteration 424: trace = 2.40912975131398 (0.00308994% change)
- linmin: converged after 4 iterations.
- iteration 425: trace = 2.409087094882162 (0.00177063% change)
- linmin: converged after 3 iterations.
- iteration 426: trace = 2.409046497537967 (0.00168519% change)
- linmin: converged after 5 iterations.
- iteration 427: trace = 2.408980518253521 (0.00273885% change)
- linmin: converged after 4 iterations.
- iteration 428: trace = 2.408951597724842 (0.00120054% change)
- linmin: converged after 5 iterations.
- iteration 429: trace = 2.408911712310085 (0.00165573% change)
- linmin: converged after 5 iterations.
- iteration 430: trace = 2.408857624651632 (0.00224534% change)
- linmin: converged after 5 iterations.
- iteration 431: trace = 2.408833758688919 (0.000990763% change)
- large trace change predicted (0.00345919%)
- linmin: converged after 5 iterations.
- iteration 432: trace = 2.408750489844308 (0.00345687% change)
- linmin: converged after 4 iterations.
- iteration 433: trace = 2.408723882556862 (0.00110462% change)
- large trace change predicted (0.00323725%)
- linmin: converged after 3 iterations.
- iteration 434: trace = 2.408645956803237 (0.0032352% change)
- linmin: converged after 3 iterations.
- iteration 435: trace = 2.40855904776062 (0.00360828% change)
- linmin: converged after 7 iterations.
- iteration 436: trace = 2.40852618076087 (0.0013646% change)
- large trace change predicted (0.00364536%)
- linmin: converged after 3 iterations.
- iteration 437: trace = 2.408438436829843 (0.00364312% change)
- linmin: converged after 5 iterations.
- iteration 438: trace = 2.408395811469374 (0.00176985% change)
- linmin: converged after 5 iterations.
- iteration 439: trace = 2.408354438275061 (0.00171789% change)
- linmin: converged after 5 iterations.
- iteration 440: trace = 2.408324265818377 (0.00125283% change)
- linmin: converged after 4 iterations.
- iteration 441: trace = 2.40831169627634 (0.000521922% change)
- linmin: converged after 3 iterations.
- iteration 442: trace = 2.40829053587938 (0.000878644% change)
- linmin: converged after 5 iterations.
- iteration 443: trace = 2.408267955796463 (0.000937602% change)
- linmin: converged after 5 iterations.
- iteration 444: trace = 2.408251629156538 (0.000677943% change)
- large trace change predicted (0.00177254%)
- linmin: converged after 4 iterations.
- iteration 445: trace = 2.408208935315483 (0.00177283% change)
- linmin: converged after 10 iterations.
- iteration 446: trace = 2.408188852947106 (0.000833917% change)
- large trace change predicted (0.00302169%)
- linmin: converged after 6 iterations.
- iteration 447: trace = 2.408116129935441 (0.00301987% change)
- linmin: converged after 7 iterations.
- iteration 448: trace = 2.40804441074114 (0.00297827% change)
- linmin: converged after 4 iterations.
- iteration 449: trace = 2.407969059358527 (0.0031292% change)
- linmin: converged after 6 iterations.
- iteration 450: trace = 2.40783290126076 (0.00565464% change)
- linmin: converged after 4 iterations.
- iteration 451: trace = 2.407787768231651 (0.00187444% change)
- large trace change predicted (0.00463887%)
- linmin: converged after 5 iterations.
- iteration 452: trace = 2.407676120668092 (0.00463704% change)
- linmin: converged after 4 iterations.
- iteration 453: trace = 2.407607314357823 (0.00285783% change)
- linmin: converged after 3 iterations.
- iteration 454: trace = 2.407564823508349 (0.00176487% change)
- linmin: converged after 4 iterations.
- iteration 455: trace = 2.407513187509442 (0.00214476% change)
- linmin: converged after 5 iterations.
- iteration 456: trace = 2.40749394583152 (0.000799238% change)
- linmin: converged after 4 iterations.
- iteration 457: trace = 2.407465317183599 (0.00118915% change)
- linmin: converged after 5 iterations.
- iteration 458: trace = 2.407435285463889 (0.00124745% change)
- linmin: converged after 5 iterations.
- iteration 459: trace = 2.407421231867624 (0.00058376% change)
- linmin: converged after 5 iterations.
- iteration 460: trace = 2.40739663858308 (0.00102157% change)
- linmin: converged after 8 iterations.
- iteration 461: trace = 2.407391869825743 (0.000198088% change)
- large trace change predicted (0.000405187%)
- linmin: converged after 4 iterations.
- iteration 462: trace = 2.407382117554732 (0.000405098% change)
- linmin: converged after 5 iterations.
- iteration 463: trace = 2.407371988739161 (0.000420741% change)
- linmin: converged after 6 iterations.
- iteration 464: trace = 2.407368323197194 (0.000152263% change)
- large trace change predicted (0.000819017%)
- linmin: converged after 5 iterations.
- iteration 465: trace = 2.407348608001826 (0.000818956% change)
- linmin: converged after 5 iterations.
- iteration 466: trace = 2.407320938714247 (0.00114937% change)
- linmin: converged after 10 iterations.
- iteration 467: trace = 2.407297733660633 (0.000963941% change)
- large trace change predicted (0.00228594%)
- linmin: converged after 5 iterations.
- iteration 468: trace = 2.407242723373789 (0.00228517% change)
- linmin: converged after 8 iterations.
- iteration 469: trace = 2.40720654781344 (0.00150279% change)
- linmin: converged after 5 iterations.
- iteration 470: trace = 2.407146306511494 (0.00250257% change)
- linmin: converged after 5 iterations.
- iteration 471: trace = 2.407082264152309 (0.00266055% change)
- linmin: converged after 5 iterations.
- iteration 472: trace = 2.407055848581008 (0.00109742% change)
- large trace change predicted (0.00355969%)
- linmin: converged after 5 iterations.
- iteration 473: trace = 2.406970224177726 (0.00355729% change)
- linmin: converged after 8 iterations.
- iteration 474: trace = 2.406956562906117 (0.000567573% change)
- large trace change predicted (0.0017044%)
- linmin: converged after 3 iterations.
- iteration 475: trace = 2.406915548994534 (0.00170399% change)
- linmin: converged after 7 iterations.
- iteration 476: trace = 2.406896101819472 (0.000807974% change)
- linmin: converged after 7 iterations.
- iteration 477: trace = 2.406882530887512 (0.000563837% change)
- linmin: converged after 6 iterations.
- iteration 478: trace = 2.406855988103139 (0.00110279% change)
- linmin: converged after 7 iterations.
- iteration 479: trace = 2.406843128840322 (0.000534278% change)
- large trace change predicted (0.00111275%)
- linmin: converged after 5 iterations.
- iteration 480: trace = 2.406816356440344 (0.00111235% change)
- linmin: converged after 9 iterations.
- iteration 481: trace = 2.40679921446282 (0.000712229% change)
- linmin: converged after 4 iterations.
- iteration 482: trace = 2.406787672923606 (0.00047954% change)
- linmin: converged after 5 iterations.
- iteration 483: trace = 2.406766457621487 (0.000881482% change)
- linmin: converged after 6 iterations.
- iteration 484: trace = 2.40675655400014 (0.000411492% change)
- linmin: converged after 4 iterations.
- iteration 485: trace = 2.406743704842799 (0.00053388% change)
- linmin: converged after 8 iterations.
- iteration 486: trace = 2.406726019593901 (0.000734823% change)
- linmin: converged after 5 iterations.
- iteration 487: trace = 2.406709523673084 (0.000685412% change)
- large trace change predicted (0.00224017%)
- linmin: converged after 3 iterations.
- iteration 488: trace = 2.406655634442125 (0.00223915% change)
- linmin: converged after 5 iterations.
- iteration 489: trace = 2.406607921499178 (0.00198256% change)
- resetting CG direction...
- linmin: converged after 6 iterations.
- iteration 490: trace = 2.406577353469841 (0.00127018% change)
- linmin: converged after 3 iterations.
- iteration 491: trace = 2.406535606840011 (0.0017347% change)
- linmin: converged after 5 iterations.
- iteration 492: trace = 2.406515557267451 (0.000833134% change)
- linmin: converged after 5 iterations.
- iteration 493: trace = 2.406494854422019 (0.000860287% change)
- linmin: converged after 5 iterations.
- iteration 494: trace = 2.40648216873415 (0.000527145% change)
- linmin: converged after 4 iterations.
- iteration 495: trace = 2.406469747133563 (0.000516174% change)
- linmin: converged after 3 iterations.
- iteration 496: trace = 2.406458604675681 (0.000463022% change)
- linmin: converged after 5 iterations.
- iteration 497: trace = 2.40644924364477 (0.000388997% change)
- linmin: converged after 5 iterations.
- iteration 498: trace = 2.406436362949932 (0.000535259% change)
- linmin: converged after 5 iterations.
- iteration 499: trace = 2.406425912722062 (0.000434262% change)
- linmin: converged after 8 iterations.
- iteration 500: trace = 2.406408206195094 (0.000735805% change)
- linmin: converged after 5 iterations.
- iteration 501: trace = 2.406399831903613 (0.000348% change)
- large trace change predicted (0.00102533%)
- linmin: converged after 4 iterations.
- iteration 502: trace = 2.406375162572453 (0.00102516% change)
- linmin: converged after 6 iterations.
- iteration 503: trace = 2.406368754749756 (0.000266286% change)
- large trace change predicted (0.000956394%)
- linmin: converged after 6 iterations.
- iteration 504: trace = 2.40634574424264 (0.000956238% change)
- linmin: converged after 5 iterations.
- iteration 505: trace = 2.40633634165313 (0.000390742% change)
- large trace change predicted (0.00104053%)
- linmin: converged after 7 iterations.
- iteration 506: trace = 2.406311303663279 (0.00104051% change)
- linmin: converged after 3 iterations.
- iteration 507: trace = 2.406282012293107 (0.00121728% change)
- linmin: converged after 6 iterations.
- iteration 508: trace = 2.406252394795445 (0.00123085% change)
- large trace change predicted (0.00287277%)
- linmin: converged after 3 iterations.
- iteration 509: trace = 2.406183275736447 (0.00287252% change)
- linmin: converged after 5 iterations.
- iteration 510: trace = 2.406167799963178 (0.000643169% change)
- large trace change predicted (0.00310487%)
- linmin: converged after 3 iterations.
- iteration 511: trace = 2.406093092633135 (0.00310487% change)
- linmin: converged after 6 iterations.
- iteration 512: trace = 2.40606550935689 (0.0011464% change)
- linmin: converged after 4 iterations.
- iteration 513: trace = 2.406030763884062 (0.00144409% change)
- linmin: converged after 5 iterations.
- iteration 514: trace = 2.405985200000722 (0.00189375% change)
- linmin: converged after 6 iterations.
- iteration 515: trace = 2.405977083049585 (0.000337366% change)
- large trace change predicted (0.000846986%)
- linmin: converged after 5 iterations.
- iteration 516: trace = 2.405956703960279 (0.000847023% change)
- linmin: converged after 5 iterations.
- iteration 517: trace = 2.405948889548555 (0.000324795% change)
- linmin: converged after 4 iterations.
- iteration 518: trace = 2.405942061190459 (0.000283812% change)
- linmin: converged after 6 iterations.
- iteration 519: trace = 2.405932907864458 (0.000380447% change)
- linmin: converged after 4 iterations.
- iteration 520: trace = 2.405927320727572 (0.000232224% change)
- large trace change predicted (0.000801157%)
- linmin: converged after 3 iterations.
- iteration 521: trace = 2.405908049116966 (0.000801009% change)
- linmin: converged after 3 iterations.
- iteration 522: trace = 2.405888764793276 (0.000801544% change)
- linmin: converged after 5 iterations.
- iteration 523: trace = 2.405870443131441 (0.000761537% change)
- large trace change predicted (0.00173729%)
- linmin: converged after 5 iterations.
- iteration 524: trace = 2.405828663686648 (0.00173658% change)
- linmin: converged after 3 iterations.
- iteration 525: trace = 2.405806952981375 (0.000902425% change)
- large trace change predicted (0.00211944%)
- linmin: converged after 5 iterations.
- iteration 526: trace = 2.405755987820135 (0.00211845% change)
- linmin: converged after 4 iterations.
- iteration 527: trace = 2.405709075327722 (0.00195003% change)
- linmin: converged after 8 iterations.
- iteration 528: trace = 2.405669623857619 (0.00163992% change)
- large trace change predicted (0.00463582%)
- linmin: converged after 5 iterations.
- iteration 529: trace = 2.405558119950058 (0.00463515% change)
- linmin: converged after 5 iterations.
- iteration 530: trace = 2.405513842306455 (0.00184066% change)
- large trace change predicted (0.00507465%)
- linmin: converged after 3 iterations.
- iteration 531: trace = 2.405391805640254 (0.00507333% change)
- linmin: converged after 5 iterations.
- iteration 532: trace = 2.405302776466054 (0.0037013% change)
- linmin: converged after 6 iterations.
- iteration 533: trace = 2.405225670469314 (0.00320572% change)
- linmin: converged after 5 iterations.
- iteration 534: trace = 2.405125384558691 (0.00416959% change)
- linmin: converged after 4 iterations.
- iteration 535: trace = 2.405094607781826 (0.00127964% change)
- large trace change predicted (0.00304987%)
- linmin: converged after 9 iterations.
- iteration 536: trace = 2.405021257228067 (0.00304985% change)
- linmin: converged after 4 iterations.
- iteration 537: trace = 2.405009384037696 (0.000493685% change)
- large trace change predicted (0.00132184%)
- linmin: converged after 4 iterations.
- iteration 538: trace = 2.404977586892497 (0.00132213% change)
- linmin: converged after 6 iterations.
- iteration 539: trace = 2.404959988643492 (0.000731745% change)
- linmin: converged after 5 iterations.
- iteration 540: trace = 2.404946988248541 (0.000540567% change)
- large trace change predicted (0.0015967%)
- linmin: converged after 5 iterations.
- iteration 541: trace = 2.404908573238 (0.00159735% change)
- linmin: converged after 6 iterations.
- iteration 542: trace = 2.404896154483712 (0.000516393% change)
- large trace change predicted (0.00287666%)
- linmin: converged after 4 iterations.
- iteration 543: trace = 2.404826963510332 (0.00287713% change)
- linmin: converged after 6 iterations.
- iteration 544: trace = 2.404787406254018 (0.00164492% change)
- linmin: converged after 5 iterations.
- iteration 545: trace = 2.404736044893518 (0.00213582% change)
- large trace change predicted (0.00443929%)
- linmin: converged after 3 iterations.
- iteration 546: trace = 2.404629294934921 (0.00443925% change)
- linmin: converged after 6 iterations.
- iteration 547: trace = 2.4045845791738 (0.00185959% change)
- large trace change predicted (0.00466007%)
- linmin: converged after 4 iterations.
- iteration 548: trace = 2.404472586290214 (0.00465758% change)
- linmin: converged after 6 iterations.
- iteration 549: trace = 2.404434488341275 (0.00158447% change)
- large trace change predicted (0.00443587%)
- linmin: converged after 4 iterations.
- iteration 550: trace = 2.404327823952165 (0.00443625% change)
- linmin: converged after 4 iterations.
- iteration 551: trace = 2.404304216127492 (0.000981894% change)
- large trace change predicted (0.00258222%)
- linmin: converged after 7 iterations.
- iteration 552: trace = 2.404242123612877 (0.00258259% change)
- linmin: converged after 12 iterations.
- iteration 553: trace = 2.404215922729015 (0.00108978% change)
- linmin: converged after 5 iterations.
- iteration 554: trace = 2.404164655472735 (0.00213241% change)
- linmin: converged after 5 iterations.
- iteration 555: trace = 2.404122910393553 (0.00173638% change)
- linmin: converged after 4 iterations.
- iteration 556: trace = 2.404058275216116 (0.00268855% change)
- linmin: converged after 8 iterations.
- iteration 557: trace = 2.404006846623001 (0.00213926% change)
- linmin: converged after 5 iterations.
- iteration 558: trace = 2.403950806811292 (0.00233113% change)
- linmin: converged after 6 iterations.
- iteration 559: trace = 2.403897883883366 (0.00220152% change)
- resetting CG direction...
- linmin: converged after 6 iterations.
- iteration 560: trace = 2.403878736992528 (0.000796497% change)
- linmin: converged after 4 iterations.
- iteration 561: trace = 2.403846928345224 (0.00132323% change)
- linmin: converged after 6 iterations.
- iteration 562: trace = 2.403824804924251 (0.000920338% change)
- linmin: converged after 4 iterations.
- iteration 563: trace = 2.40380664787852 (0.000755343% change)
- large trace change predicted (0.00190861%)
- linmin: converged after 4 iterations.
- iteration 564: trace = 2.403760773619517 (0.00190842% change)
- linmin: converged after 6 iterations.
- iteration 565: trace = 2.403736551598012 (0.00100768% change)
- large trace change predicted (0.00387845%)
- linmin: converged after 4 iterations.
- iteration 566: trace = 2.403643348766122 (0.00387749% change)
- linmin: converged after 7 iterations.
- iteration 567: trace = 2.403544438471036 (0.0041151% change)
- linmin: converged after 4 iterations.
- iteration 568: trace = 2.40348158036816 (0.00261526% change)
- linmin: converged after 7 iterations.
- iteration 569: trace = 2.403363671687726 (0.00490587% change)
- linmin: converged after 5 iterations.
- iteration 570: trace = 2.403297018360325 (0.00277337% change)
- linmin: converged after 5 iterations.
- iteration 571: trace = 2.403255147059998 (0.00174226% change)
- linmin: converged after 6 iterations.
- iteration 572: trace = 2.40317455990013 (0.00335331% change)
- linmin: converged after 6 iterations.
- iteration 573: trace = 2.403154186498361 (0.000847774% change)
- large trace change predicted (0.00360817%)
- linmin: converged after 4 iterations.
- iteration 574: trace = 2.4030674909499 (0.00360764% change)
- linmin: converged after 4 iterations.
- iteration 575: trace = 2.403012650267774 (0.00228214% change)
- linmin: converged after 3 iterations.
- iteration 576: trace = 2.402962873066075 (0.00207147% change)
- linmin: converged after 3 iterations.
- iteration 577: trace = 2.402919977614044 (0.00178512% change)
- linmin: converged after 4 iterations.
- iteration 578: trace = 2.402896733822861 (0.000967319% change)
- large trace change predicted (0.00204625%)
- linmin: converged after 5 iterations.
- iteration 579: trace = 2.402847577715611 (0.00204572% change)
- linmin: converged after 4 iterations.
- iteration 580: trace = 2.402807033410863 (0.00168736% change)
- linmin: converged after 3 iterations.
- iteration 581: trace = 2.402777532535984 (0.00122777% change)
- linmin: converged after 3 iterations.
- iteration 582: trace = 2.402739930900951 (0.00156494% change)
- linmin: converged after 5 iterations.
- iteration 583: trace = 2.402720125343526 (0.000824294% change)
- linmin: converged after 4 iterations.
- iteration 584: trace = 2.402687763069366 (0.00134691% change)
- large trace change predicted (0.00290311%)
- linmin: converged after 5 iterations.
- iteration 585: trace = 2.402618052886326 (0.00290138% change)
- linmin: converged after 5 iterations.
- iteration 586: trace = 2.402590772605703 (0.00113545% change)
- large trace change predicted (0.00576794%)
- linmin: converged after 9 iterations.
- iteration 587: trace = 2.402452368751609 (0.00576077% change)
- linmin: converged after 3 iterations.
- iteration 588: trace = 2.402340839589299 (0.00464241% change)
- linmin: converged after 7 iterations.
- iteration 589: trace = 2.402226500440043 (0.0047596% change)
- linmin: converged after 5 iterations.
- iteration 590: trace = 2.402094160427195 (0.00550921% change)
- linmin: converged after 4 iterations.
- iteration 591: trace = 2.402028738734665 (0.00272356% change)
- linmin: converged after 8 iterations.
- iteration 592: trace = 2.40193632985058 (0.00384719% change)
- linmin: converged after 5 iterations.
- iteration 593: trace = 2.401875892730049 (0.00251621% change)
- linmin: converged after 12 iterations.
- iteration 594: trace = 2.40185769126464 (0.000757805% change)
- large trace change predicted (0.00158397%)
- linmin: converged after 4 iterations.
- iteration 595: trace = 2.401819651080237 (0.00158379% change)
- linmin: converged after 3 iterations.
- iteration 596: trace = 2.401807708348334 (0.000497238% change)
- linmin: converged after 4 iterations.
- iteration 597: trace = 2.401792593061487 (0.000629332% change)
- linmin: converged after 5 iterations.
- iteration 598: trace = 2.401768947664185 (0.000984494% change)
- linmin: converged after 6 iterations.
- iteration 599: trace = 2.401762216460676 (0.000280261% change)
- large trace change predicted (0.00105261%)
- linmin: converged after 3 iterations.
- iteration 600: trace = 2.4017369389012 (0.00105246% change)
- linmin: converged after 6 iterations.
- iteration 601: trace = 2.401727062384461 (0.000411225% change)
- linmin: converged after 5 iterations.
- iteration 602: trace = 2.401714255105116 (0.000533254% change)
- linmin: converged after 4 iterations.
- iteration 603: trace = 2.4016968970432 (0.000722739% change)
- linmin: converged after 6 iterations.
- iteration 604: trace = 2.401688806682655 (0.000336861% change)
- large trace change predicted (0.00113936%)
- linmin: converged after 7 iterations.
- iteration 605: trace = 2.401661449259016 (0.0011391% change)
- linmin: converged after 4 iterations.
- iteration 606: trace = 2.401620882925068 (0.00168911% change)
- linmin: converged after 13 iterations.
- iteration 607: trace = 2.401575027100097 (0.00190939% change)
- large trace change predicted (0.00394296%)
- linmin: converged after 3 iterations.
- iteration 608: trace = 2.401480388969659 (0.00394075% change)
- linmin: converged after 5 iterations.
- iteration 609: trace = 2.401406990288653 (0.00305644% change)
- linmin: converged after 8 iterations.
- iteration 610: trace = 2.401317376248728 (0.0037318% change)
- linmin: converged after 5 iterations.
- iteration 611: trace = 2.401245887182211 (0.00297712% change)
- linmin: converged after 5 iterations.
- iteration 612: trace = 2.401228773172378 (0.000712716% change)
- large trace change predicted (0.00156302%)
- linmin: converged after 5 iterations.
- iteration 613: trace = 2.4011912330083 (0.00156339% change)
- linmin: converged after 5 iterations.
- iteration 614: trace = 2.401176877196626 (0.000597864% change)
- linmin: converged after 6 iterations.
- iteration 615: trace = 2.401157429605223 (0.000809922% change)
- linmin: converged after 5 iterations.
- iteration 616: trace = 2.401137025417903 (0.000849768% change)
- linmin: converged after 5 iterations.
- iteration 617: trace = 2.401129955714504 (0.000294432% change)
- large trace change predicted (0.000844026%)
- linmin: converged after 4 iterations.
- iteration 618: trace = 2.401109689483699 (0.000844032% change)
- linmin: converged after 5 iterations.
- iteration 619: trace = 2.401091065937965 (0.000775625% change)
- linmin: converged after 5 iterations.
- iteration 620: trace = 2.401073869481546 (0.000716196% change)
- linmin: converged after 5 iterations.
- iteration 621: trace = 2.401045611149328 (0.00117691% change)
- linmin: converged after 5 iterations.
- iteration 622: trace = 2.401024789401927 (0.000867199% change)
- linmin: converged after 7 iterations.
- iteration 623: trace = 2.400985585103309 (0.00163283% change)
- linmin: converged after 5 iterations.
- iteration 624: trace = 2.400950516491264 (0.0014606% change)
- linmin: converged after 6 iterations.
- iteration 625: trace = 2.400921724514769 (0.0011992% change)
- large trace change predicted (0.00442853%)
- linmin: converged after 5 iterations.
- iteration 626: trace = 2.400815436912767 (0.00442705% change)
- linmin: converged after 5 iterations.
- iteration 627: trace = 2.400758891856712 (0.00235527% change)
- linmin: converged after 4 iterations.
- iteration 628: trace = 2.400674889902897 (0.00349904% change)
- linmin: converged after 5 iterations.
- iteration 629: trace = 2.400539021663387 (0.00565975% change)
- resetting CG direction...
- linmin: converged after 6 iterations.
- iteration 630: trace = 2.400448940520251 (0.00375261% change)
- linmin: converged after 8 iterations.
- iteration 631: trace = 2.400371093998 (0.00324305% change)
- linmin: converged after 5 iterations.
- iteration 632: trace = 2.40029571307695 (0.00314044% change)
- linmin: converged after 5 iterations.
- iteration 633: trace = 2.400212714335126 (0.00345791% change)
- linmin: converged after 4 iterations.
- iteration 634: trace = 2.40014741730044 (0.00272051% change)
- linmin: converged after 3 iterations.
- iteration 635: trace = 2.400133591440214 (0.000576044% change)
- large trace change predicted (0.00171384%)
- linmin: converged after 5 iterations.
- iteration 636: trace = 2.40009246268975 (0.00171362% change)
- linmin: converged after 5 iterations.
- iteration 637: trace = 2.400072356913596 (0.000837712% change)
- linmin: converged after 5 iterations.
- iteration 638: trace = 2.400056653307066 (0.000654299% change)
- linmin: converged after 3 iterations.
- iteration 639: trace = 2.400032143309593 (0.00102123% change)
- linmin: converged after 5 iterations.
- iteration 640: trace = 2.40002288274058 (0.000385853% change)
- large trace change predicted (0.000883049%)
- linmin: converged after 13 iterations.
- iteration 641: trace = 2.400001691594345 (0.00088296% change)
- linmin: converged after 4 iterations.
- iteration 642: trace = 2.399982044273439 (0.000818641% change)
- linmin: converged after 4 iterations.
- iteration 643: trace = 2.399976069778171 (0.000248939% change)
- large trace change predicted (0.0010033%)
- linmin: converged after 3 iterations.
- iteration 644: trace = 2.399951987441472 (0.00100345% change)
- linmin: converged after 8 iterations.
- iteration 645: trace = 2.39993237997668 (0.000816997% change)
- linmin: converged after 5 iterations.
- iteration 646: trace = 2.399910671704903 (0.000904541% change)
- large trace change predicted (0.00251589%)
- linmin: converged after 3 iterations.
- iteration 647: trace = 2.399850284857141 (0.00251624% change)
- linmin: converged after 5 iterations.
- iteration 648: trace = 2.399829116036321 (0.000882093% change)
- large trace change predicted (0.00376049%)
- linmin: converged after 4 iterations.
- iteration 649: trace = 2.399738897782539 (0.00375943% change)
- linmin: converged after 4 iterations.
- iteration 650: trace = 2.399670075442045 (0.00286795% change)
- linmin: converged after 5 iterations.
- iteration 651: trace = 2.399601011617795 (0.0028781% change)
- linmin: converged after 5 iterations.
- iteration 652: trace = 2.399548364891094 (0.002194% change)
- linmin: converged after 4 iterations.
- iteration 653: trace = 2.399520651546327 (0.00115495% change)
- linmin: converged after 3 iterations.
- iteration 654: trace = 2.399494804205672 (0.00107719% change)
- linmin: converged after 5 iterations.
- iteration 655: trace = 2.399480070121222 (0.000614051% change)
- linmin: converged after 6 iterations.
- iteration 656: trace = 2.399470795435928 (0.00038653% change)
- linmin: converged after 3 iterations.
- iteration 657: trace = 2.399454389865875 (0.000683719% change)
- linmin: converged after 3 iterations.
- iteration 658: trace = 2.399445758108693 (0.000359739% change)
- linmin: converged after 4 iterations.
- iteration 659: trace = 2.399429786331971 (0.000665647% change)
- linmin: converged after 4 iterations.
- iteration 660: trace = 2.399407385281236 (0.000933603% change)
- linmin: converged after 5 iterations.
- iteration 661: trace = 2.399400282885068 (0.000296007% change)
- large trace change predicted (0.00109265%)
- linmin: converged after 4 iterations.
- iteration 662: trace = 2.399374067441653 (0.00109259% change)
- linmin: converged after 2 iterations.
- iteration 663: trace = 2.399347448526156 (0.00110942% change)
- linmin: converged after 5 iterations.
- iteration 664: trace = 2.399318769618348 (0.00119529% change)
- linmin: converged after 3 iterations.
- iteration 665: trace = 2.399261852897858 (0.00237223% change)
- linmin: converged after 5 iterations.
- iteration 666: trace = 2.399224078485799 (0.00157443% change)
- linmin: converged after 6 iterations.
- iteration 667: trace = 2.399149865363118 (0.00309326% change)
- linmin: converged after 4 iterations.
- iteration 668: trace = 2.399045479083078 (0.00435106% change)
- linmin: converged after 5 iterations.
- iteration 669: trace = 2.398983133645272 (0.00259879% change)
- large trace change predicted (0.00770133%)
- linmin: converged after 6 iterations.
- iteration 670: trace = 2.398798508777453 (0.00769626% change)
- linmin: converged after 4 iterations.
- iteration 671: trace = 2.398750961747214 (0.00198214% change)
- linmin: converged after 5 iterations.
- iteration 672: trace = 2.398656098098674 (0.00395479% change)
- linmin: converged after 5 iterations.
- iteration 673: trace = 2.398623906945157 (0.00134206% change)
- linmin: converged after 4 iterations.
- iteration 674: trace = 2.398590914172487 (0.0013755% change)
- linmin: converged after 5 iterations.
- iteration 675: trace = 2.398551154052113 (0.00165766% change)
- linmin: converged after 5 iterations.
- iteration 676: trace = 2.398538875067128 (0.000511935% change)
- large trace change predicted (0.00181828%)
- linmin: converged after 5 iterations.
- iteration 677: trace = 2.398495268381243 (0.00181807% change)
- linmin: converged after 3 iterations.
- iteration 678: trace = 2.398483221762058 (0.000502259% change)
- large trace change predicted (0.00130369%)
- linmin: converged after 3 iterations.
- iteration 679: trace = 2.398451938659577 (0.0013043% change)
- linmin: converged after 6 iterations.
- iteration 680: trace = 2.398417031338629 (0.00145542% change)
- linmin: converged after 5 iterations.
- iteration 681: trace = 2.398395109550561 (0.000914015% change)
- large trace change predicted (0.00298605%)
- linmin: converged after 8 iterations.
- iteration 682: trace = 2.398323449625818 (0.00298787% change)
- linmin: converged after 7 iterations.
- iteration 683: trace = 2.398292693103413 (0.00128243% change)
- large trace change predicted (0.00328961%)
- linmin: converged after 4 iterations.
- iteration 684: trace = 2.398213734195218 (0.00329235% change)
- linmin: converged after 4 iterations.
- iteration 685: trace = 2.398151947224186 (0.00257641% change)
- linmin: converged after 4 iterations.
- iteration 686: trace = 2.398116045969583 (0.00149705% change)
- linmin: converged after 4 iterations.
- iteration 687: trace = 2.398057448788226 (0.0024435% change)
- linmin: converged after 6 iterations.
- iteration 688: trace = 2.398025803033653 (0.00131965% change)
- linmin: converged after 3 iterations.
- iteration 689: trace = 2.397968309028343 (0.00239758% change)
- linmin: converged after 5 iterations.
- iteration 690: trace = 2.397902171888899 (0.00275809% change)
- linmin: converged after 4 iterations.
- iteration 691: trace = 2.397833284827112 (0.00287285% change)
- linmin: converged after 4 iterations.
- iteration 692: trace = 2.397760860037896 (0.00302047% change)
- linmin: converged after 4 iterations.
- iteration 693: trace = 2.397733520417618 (0.00114022% change)
- linmin: converged after 4 iterations.
- iteration 694: trace = 2.397694622929557 (0.00162227% change)
- linmin: converged after 5 iterations.
- iteration 695: trace = 2.39767835630367 (0.00067843% change)
- linmin: converged after 4 iterations.
- iteration 696: trace = 2.397661745955241 (0.00069277% change)
- linmin: converged after 4 iterations.
- iteration 697: trace = 2.397645132146407 (0.00069292% change)
- linmin: converged after 5 iterations.
- iteration 698: trace = 2.397638068288229 (0.000294617% change)
- large trace change predicted (0.00165669%)
- linmin: converged after 5 iterations.
- iteration 699: trace = 2.397598347211788 (0.00165669% change)
- resetting CG direction...
- linmin: converged after 7 iterations.
- iteration 700: trace = 2.39758239410961 (0.000665381% change)
- linmin: converged after 5 iterations.
- iteration 701: trace = 2.397560443954596 (0.000915516% change)
- linmin: converged after 3 iterations.
- iteration 702: trace = 2.397545454380746 (0.000625203% change)
- linmin: converged after 6 iterations.
- iteration 703: trace = 2.397538502714289 (0.00028995% change)
- large trace change predicted (0.00101637%)
- linmin: converged after 4 iterations.
- iteration 704: trace = 2.397514137251211 (0.00101628% change)
- linmin: converged after 5 iterations.
- iteration 705: trace = 2.397487682420538 (0.00110343% change)
- linmin: converged after 5 iterations.
- iteration 706: trace = 2.397462487788958 (0.00105088% change)
- large trace change predicted (0.00331332%)
- linmin: converged after 6 iterations.
- iteration 707: trace = 2.397383085367669 (0.00331199% change)
- linmin: converged after 4 iterations.
- iteration 708: trace = 2.397357524252455 (0.00106621% change)
- large trace change predicted (0.0028161%)
- linmin: converged after 3 iterations.
- iteration 709: trace = 2.397290013001008 (0.00281611% change)
- linmin: converged after 4 iterations.
- iteration 710: trace = 2.397218757445285 (0.00297238% change)
- linmin: converged after 4 iterations.
- iteration 711: trace = 2.397199565464883 (0.000800597% change)
- large trace change predicted (0.00324724%)
- linmin: converged after 3 iterations.
- iteration 712: trace = 2.397121751801342 (0.00324608% change)
- linmin: converged after 6 iterations.
- iteration 713: trace = 2.397095605362654 (0.00109075% change)
- large trace change predicted (0.00230687%)
- linmin: converged after 5 iterations.
- iteration 714: trace = 2.397040332562358 (0.00230585% change)
- linmin: converged after 3 iterations.
- iteration 715: trace = 2.396987519520442 (0.00220328% change)
- linmin: converged after 4 iterations.
- iteration 716: trace = 2.396960538556553 (0.00112563% change)
- linmin: converged after 8 iterations.
- iteration 717: trace = 2.396910801167665 (0.00207504% change)
- linmin: converged after 5 iterations.
- iteration 718: trace = 2.396865981324696 (0.00186992% change)
- linmin: converged after 5 iterations.
- iteration 719: trace = 2.396844753180099 (0.000885666% change)
- linmin: converged after 3 iterations.
- iteration 720: trace = 2.396807971416041 (0.0015346% change)
- linmin: converged after 4 iterations.
- iteration 721: trace = 2.396794629674081 (0.000556648% change)
- linmin: converged after 5 iterations.
- iteration 722: trace = 2.396769430129229 (0.00105139% change)
- linmin: converged after 6 iterations.
- iteration 723: trace = 2.396746799016373 (0.000944238% change)
- linmin: converged after 5 iterations.
- iteration 724: trace = 2.396737231229561 (0.0003992% change)
- large trace change predicted (0.00148121%)
- linmin: converged after 3 iterations.
- iteration 725: trace = 2.396701734334349 (0.00148106% change)
- linmin: converged after 4 iterations.
- iteration 726: trace = 2.396684811167906 (0.000706105% change)
- large trace change predicted (0.00257885%)
- linmin: converged after 3 iterations.
- iteration 727: trace = 2.396623013363413 (0.0025785% change)
- linmin: converged after 5 iterations.
- iteration 728: trace = 2.396562471766473 (0.00252615% change)
- linmin: converged after 4 iterations.
- iteration 729: trace = 2.396485807362582 (0.00319898% change)
- linmin: converged after 4 iterations.
- iteration 730: trace = 2.396398629990256 (0.00363778% change)
- linmin: converged after 5 iterations.
- iteration 731: trace = 2.396364140161586 (0.00143925% change)
- large trace change predicted (0.00343283%)
- linmin: converged after 4 iterations.
- iteration 732: trace = 2.396281906195748 (0.00343167% change)
- linmin: converged after 5 iterations.
- iteration 733: trace = 2.396257498895117 (0.00101855% change)
- large trace change predicted (0.00238498%)
- linmin: converged after 5 iterations.
- iteration 734: trace = 2.396200374211696 (0.00238394% change)
- linmin: converged after 3 iterations.
- iteration 735: trace = 2.396187510478526 (0.00053684% change)
- large trace change predicted (0.0010834%)
- linmin: converged after 4 iterations.
- iteration 736: trace = 2.396161559473703 (0.00108302% change)
- linmin: converged after 6 iterations.
- iteration 737: trace = 2.3961481230029 (0.000560751% change)
- linmin: converged after 9 iterations.
- iteration 738: trace = 2.396141443781758 (0.000278749% change)
- large trace change predicted (0.000670855%)
- linmin: converged after 5 iterations.
- iteration 739: trace = 2.396125373143394 (0.00067069% change)
- linmin: converged after 5 iterations.
- iteration 740: trace = 2.396120352721215 (0.000209523% change)
- large trace change predicted (0.000748139%)
- linmin: converged after 10 iterations.
- iteration 741: trace = 2.396102427987452 (0.000748076% change)
- linmin: converged after 8 iterations.
- iteration 742: trace = 2.396097685709103 (0.000197917% change)
- linmin: converged after 4 iterations.
- iteration 743: trace = 2.39608858187457 (0.000379945% change)
- linmin: converged after 4 iterations.
- iteration 744: trace = 2.396080477902917 (0.000338217% change)
- linmin: converged after 5 iterations.
- iteration 745: trace = 2.396075994320579 (0.000187122% change)
- large trace change predicted (0.000530055%)
- linmin: converged after 7 iterations.
- iteration 746: trace = 2.396063294660862 (0.00053002% change)
- linmin: converged after 5 iterations.
- iteration 747: trace = 2.39605513662636 (0.000340477% change)
- large trace change predicted (0.00128155%)
- linmin: converged after 4 iterations.
- iteration 748: trace = 2.39602443907263 (0.00128118% change)
- linmin: converged after 8 iterations.
- iteration 749: trace = 2.396006591380845 (0.00074489% change)
- large trace change predicted (0.00186507%)
- linmin: converged after 5 iterations.
- iteration 750: trace = 2.395961906998437 (0.00186497% change)
- linmin: converged after 8 iterations.
- iteration 751: trace = 2.395927109489925 (0.00145235% change)
- linmin: converged after 7 iterations.
- iteration 752: trace = 2.395890786887048 (0.00151603% change)
- linmin: converged after 8 iterations.
- iteration 753: trace = 2.395866619214188 (0.00100872% change)
- linmin: converged after 4 iterations.
- iteration 754: trace = 2.395835828704396 (0.00128516% change)
- linmin: converged after 7 iterations.
- iteration 755: trace = 2.395818046340084 (0.000742222% change)
- linmin: converged after 6 iterations.
- iteration 756: trace = 2.395795347878103 (0.000947425% change)
- linmin: converged after 6 iterations.
- iteration 757: trace = 2.395778228352431 (0.000714568% change)
- linmin: converged after 3 iterations.
- iteration 758: trace = 2.395769799862759 (0.000351807% change)
- linmin: converged after 7 iterations.
- iteration 759: trace = 2.395759081764716 (0.000447377% change)
- linmin: converged after 3 iterations.
- iteration 760: trace = 2.39575280926562 (0.000261817% change)
- linmin: converged after 5 iterations.
- iteration 761: trace = 2.39574707387441 (0.000239399% change)
- linmin: converged after 5 iterations.
- iteration 762: trace = 2.395737719989556 (0.000390438% change)
- linmin: converged after 5 iterations.
- iteration 763: trace = 2.395733826987011 (0.000162497% change)
- large trace change predicted (0.000701611%)
- linmin: converged after 8 iterations.
- iteration 764: trace = 2.395717020918321 (0.000701502% change)
- linmin: converged after 3 iterations.
- iteration 765: trace = 2.395713145706522 (0.000161756% change)
- large trace change predicted (0.000956725%)
- linmin: converged after 5 iterations.
- iteration 766: trace = 2.395690221195577 (0.000956902% change)
- linmin: converged after 8 iterations.
- iteration 767: trace = 2.395682105396979 (0.000338767% change)
- large trace change predicted (0.000729102%)
- linmin: converged after 4 iterations.
- iteration 768: trace = 2.395664636191873 (0.000729198% change)
- linmin: converged after 5 iterations.
- iteration 769: trace = 2.395652041868552 (0.000525715% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 770: trace = 2.395642452366607 (0.000400289% change)
- linmin: converged after 9 iterations.
- iteration 771: trace = 2.395629260225946 (0.000550674% change)
- linmin: converged after 3 iterations.
- iteration 772: trace = 2.395618048162598 (0.000468023% change)
- linmin: converged after 5 iterations.
- iteration 773: trace = 2.395610174871793 (0.000328654% change)
- linmin: converged after 3 iterations.
- iteration 774: trace = 2.395596566662333 (0.000568049% change)
- linmin: converged after 6 iterations.
- iteration 775: trace = 2.395590051652562 (0.000271958% change)
- large trace change predicted (0.000806528%)
- linmin: converged after 6 iterations.
- iteration 776: trace = 2.395570730932862 (0.000806515% change)
- linmin: converged after 5 iterations.
- iteration 777: trace = 2.395565290115732 (0.00022712% change)
- large trace change predicted (0.000498756%)
- linmin: converged after 4 iterations.
- iteration 778: trace = 2.395553340709094 (0.000498815% change)
- linmin: converged after 4 iterations.
- iteration 779: trace = 2.39554568390412 (0.000319626% change)
- linmin: converged after 17 iterations.
- iteration 780: trace = 2.395541431298903 (0.000177522% change)
- large trace change predicted (0.00049215%)
- linmin: converged after 4 iterations.
- iteration 781: trace = 2.395529642298953 (0.000492124% change)
- linmin: converged after 4 iterations.
- iteration 782: trace = 2.395525068614838 (0.000190926% change)
- large trace change predicted (0.00079864%)
- linmin: converged after 3 iterations.
- iteration 783: trace = 2.395505939577015 (0.000798535% change)
- linmin: converged after 6 iterations.
- iteration 784: trace = 2.395495457574481 (0.00043757% change)
- large trace change predicted (0.00153707%)
- linmin: converged after 4 iterations.
- iteration 785: trace = 2.395458640239006 (0.00153695% change)
- linmin: converged after 5 iterations.
- iteration 786: trace = 2.395426780773616 (0.00133% change)
- linmin: converged after 6 iterations.
- iteration 787: trace = 2.395395614327688 (0.00130109% change)
- linmin: converged after 4 iterations.
- iteration 788: trace = 2.395347753316066 (0.00199806% change)
- linmin: converged after 15 iterations.
- iteration 789: trace = 2.395336200484313 (0.000482304% change)
- large trace change predicted (0.00110779%)
- linmin: converged after 5 iterations.
- iteration 790: trace = 2.395309659115983 (0.00110805% change)
- linmin: converged after 5 iterations.
- iteration 791: trace = 2.395305541536678 (0.000171902% change)
- large trace change predicted (0.000426853%)
- linmin: converged after 4 iterations.
- iteration 792: trace = 2.395295317112858 (0.000426854% change)
- linmin: converged after 6 iterations.
- iteration 793: trace = 2.395291607935198 (0.000154853% change)
- linmin: converged after 4 iterations.
- iteration 794: trace = 2.395284881369466 (0.000280825% change)
- linmin: converged after 3 iterations.
- iteration 795: trace = 2.395282314882131 (0.000107148% change)
- large trace change predicted (0.000363795%)
- linmin: converged after 5 iterations.
- iteration 796: trace = 2.395273600083791 (0.000363832% change)
- linmin: converged after 5 iterations.
- iteration 797: trace = 2.395271223154673 (9.92342e-05% change)
- large trace change predicted (0.000340884%)
- linmin: converged after 2 iterations.
- iteration 798: trace = 2.39526305787462 (0.000340892% change)
- linmin: converged after 5 iterations.
- iteration 799: trace = 2.395260394965665 (0.000111174% change)
- large trace change predicted (0.000431369%)
- linmin: converged after 6 iterations.
- iteration 800: trace = 2.395250061116095 (0.00043143% change)
- linmin: converged after 4 iterations.
- iteration 801: trace = 2.395245413649938 (0.000194029% change)
- large trace change predicted (0.000569044%)
- linmin: converged after 4 iterations.
- iteration 802: trace = 2.395231784161364 (0.000569024% change)
- linmin: converged after 3 iterations.
- iteration 803: trace = 2.395223581441534 (0.000342461% change)
- linmin: converged after 5 iterations.
- iteration 804: trace = 2.395207934722523 (0.000653249% change)
- linmin: converged after 3 iterations.
- iteration 805: trace = 2.395196120649871 (0.000493239% change)
- linmin: converged after 5 iterations.
- iteration 806: trace = 2.395178716878824 (0.000726614% change)
- linmin: converged after 5 iterations.
- iteration 807: trace = 2.395148199747699 (0.00127411% change)
- linmin: converged after 5 iterations.
- iteration 808: trace = 2.395137434610638 (0.000449457% change)
- large trace change predicted (0.00167401%)
- linmin: converged after 4 iterations.
- iteration 809: trace = 2.395097334971058 (0.00167422% change)
- linmin: converged after 6 iterations.
- iteration 810: trace = 2.395079604739446 (0.000740275% change)
- large trace change predicted (0.00207408%)
- linmin: converged after 4 iterations.
- iteration 811: trace = 2.395029918711579 (0.00207453% change)
- linmin: converged after 6 iterations.
- iteration 812: trace = 2.395008690784144 (0.000886336% change)
- large trace change predicted (0.00240346%)
- linmin: converged after 7 iterations.
- iteration 813: trace = 2.394951105525065 (0.00240442% change)
- linmin: converged after 5 iterations.
- iteration 814: trace = 2.394938116298908 (0.00054236% change)
- large trace change predicted (0.00136867%)
- linmin: converged after 13 iterations.
- iteration 815: trace = 2.394905336611201 (0.00136872% change)
- linmin: converged after 6 iterations.
- iteration 816: trace = 2.394892346720609 (0.000542398% change)
- linmin: converged after 4 iterations.
- iteration 817: trace = 2.394879298712001 (0.000544828% change)
- linmin: converged after 7 iterations.
- iteration 818: trace = 2.394869403121697 (0.000413199% change)
- linmin: converged after 3 iterations.
- iteration 819: trace = 2.394861454864876 (0.000331887% change)
- linmin: converged after 5 iterations.
- iteration 820: trace = 2.394853691918189 (0.000324151% change)
- linmin: converged after 4 iterations.
- iteration 821: trace = 2.394847429933353 (0.000261477% change)
- linmin: converged after 7 iterations.
- iteration 822: trace = 2.394837501342926 (0.000414582% change)
- linmin: converged after 5 iterations.
- iteration 823: trace = 2.39483302852368 (0.000186769% change)
- large trace change predicted (0.000876756%)
- linmin: converged after 4 iterations.
- iteration 824: trace = 2.394812023301695 (0.00087711% change)
- linmin: converged after 6 iterations.
- iteration 825: trace = 2.394804586080783 (0.000310556% change)
- large trace change predicted (0.00093003%)
- linmin: converged after 3 iterations.
- iteration 826: trace = 2.394782307915482 (0.000930275% change)
- linmin: converged after 5 iterations.
- iteration 827: trace = 2.394769386045013 (0.000539586% change)
- large trace change predicted (0.00117236%)
- linmin: converged after 6 iterations.
- iteration 828: trace = 2.394741300849612 (0.00117278% change)
- linmin: converged after 5 iterations.
- iteration 829: trace = 2.394720862647654 (0.000853465% change)
- linmin: converged after 6 iterations.
- iteration 830: trace = 2.394704186977982 (0.000696354% change)
- linmin: converged after 4 iterations.
- iteration 831: trace = 2.394682849252985 (0.000891042% change)
- linmin: converged after 6 iterations.
- iteration 832: trace = 2.39467402733472 (0.000368397% change)
- large trace change predicted (0.00107963%)
- linmin: converged after 3 iterations.
- iteration 833: trace = 2.394648178904071 (0.00107942% change)
- linmin: converged after 6 iterations.
- iteration 834: trace = 2.394641160982183 (0.000293067% change)
- large trace change predicted (0.000861246%)
- linmin: converged after 6 iterations.
- iteration 835: trace = 2.394620539422801 (0.000861158% change)
- linmin: converged after 6 iterations.
- iteration 836: trace = 2.394608537546642 (0.000501203% change)
- linmin: converged after 4 iterations.
- iteration 837: trace = 2.394588612079556 (0.000832101% change)
- linmin: converged after 3 iterations.
- iteration 838: trace = 2.394574852354423 (0.000574619% change)
- linmin: converged after 5 iterations.
- iteration 839: trace = 2.39455216210991 (0.000947573% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 840: trace = 2.394540823701043 (0.00047351% change)
- linmin: converged after 4 iterations.
- iteration 841: trace = 2.394527776114812 (0.00054489% change)
- linmin: converged after 5 iterations.
- iteration 842: trace = 2.394523660121363 (0.000171892% change)
- linmin: converged after 6 iterations.
- iteration 843: trace = 2.394518063110889 (0.000233742% change)
- linmin: converged after 2 iterations.
- iteration 844: trace = 2.394509803044171 (0.000344958% change)
- linmin: converged after 5 iterations.
- iteration 845: trace = 2.394507760696138 (8.5293e-05% change)
- large trace change predicted (0.000436312%)
- linmin: converged after 4 iterations.
- iteration 846: trace = 2.394497313427193 (0.000436302% change)
- linmin: converged after 4 iterations.
- iteration 847: trace = 2.394490362233961 (0.000290299% change)
- linmin: converged after 6 iterations.
- iteration 848: trace = 2.394477476693619 (0.000538134% change)
- linmin: converged after 5 iterations.
- iteration 849: trace = 2.394464689887249 (0.000534014% change)
- linmin: converged after 5 iterations.
- iteration 850: trace = 2.394458144136741 (0.00027337% change)
- large trace change predicted (0.000877888%)
- linmin: converged after 5 iterations.
- iteration 851: trace = 2.394437132506152 (0.000877515% change)
- linmin: converged after 5 iterations.
- iteration 852: trace = 2.394410973238042 (0.00109251% change)
- linmin: converged after 5 iterations.
- iteration 853: trace = 2.394402272635757 (0.000363372% change)
- large trace change predicted (0.00121355%)
- linmin: converged after 4 iterations.
- iteration 854: trace = 2.394373229641932 (0.00121296% change)
- linmin: converged after 7 iterations.
- iteration 855: trace = 2.394354067564101 (0.000800299% change)
- linmin: converged after 8 iterations.
- iteration 856: trace = 2.39433372431924 (0.000849638% change)
- linmin: converged after 6 iterations.
- iteration 857: trace = 2.394297166381279 (0.00152686% change)
- linmin: converged after 5 iterations.
- iteration 858: trace = 2.394285767544338 (0.000476084% change)
- large trace change predicted (0.00159333%)
- linmin: converged after 4 iterations.
- iteration 859: trace = 2.394247622389388 (0.00159319% change)
- linmin: converged after 4 iterations.
- iteration 860: trace = 2.394233346506626 (0.000596259% change)
- linmin: converged after 6 iterations.
- iteration 861: trace = 2.394207819726012 (0.00106618% change)
- linmin: converged after 5 iterations.
- iteration 862: trace = 2.394195519026676 (0.00051377% change)
- linmin: converged after 5 iterations.
- iteration 863: trace = 2.394188993596345 (0.000272552% change)
- linmin: converged after 5 iterations.
- iteration 864: trace = 2.394182356903114 (0.0002772% change)
- linmin: converged after 5 iterations.
- iteration 865: trace = 2.394179333180336 (0.000126295% change)
- large trace change predicted (0.000328299%)
- linmin: converged after 5 iterations.
- iteration 866: trace = 2.394171473976929 (0.000328263% change)
- linmin: converged after 5 iterations.
- iteration 867: trace = 2.394161450734507 (0.000418653% change)
- linmin: converged after 4 iterations.
- iteration 868: trace = 2.394155805717717 (0.000235783% change)
- large trace change predicted (0.000528311%)
- linmin: converged after 5 iterations.
- iteration 869: trace = 2.39414315843689 (0.000528258% change)
- linmin: converged after 7 iterations.
- iteration 870: trace = 2.394130787986597 (0.000516698% change)
- linmin: converged after 6 iterations.
- iteration 871: trace = 2.394120900976059 (0.00041297% change)
- large trace change predicted (0.00112671%)
- linmin: converged after 4 iterations.
- iteration 872: trace = 2.39409393349801 (0.00112641% change)
- linmin: converged after 8 iterations.
- iteration 873: trace = 2.394087939782523 (0.000250355% change)
- large trace change predicted (0.000736548%)
- linmin: converged after 5 iterations.
- iteration 874: trace = 2.394070307241102 (0.000736506% change)
- linmin: converged after 5 iterations.
- iteration 875: trace = 2.394053220487694 (0.000713714% change)
- linmin: converged after 5 iterations.
- iteration 876: trace = 2.394047530589803 (0.000237668% change)
- linmin: converged after 7 iterations.
- iteration 877: trace = 2.394037289050395 (0.000427793% change)
- linmin: converged after 12 iterations.
- iteration 878: trace = 2.394028799022859 (0.000354633% change)
- linmin: converged after 17 iterations.
- iteration 879: trace = 2.394022136076078 (0.000278316% change)
- linmin: converged after 5 iterations.
- iteration 880: trace = 2.394012906652803 (0.00038552% change)
- linmin: converged after 14 iterations.
- iteration 881: trace = 2.394011176554337 (7.22677e-05% change)
- large trace change predicted (0.000190848%)
- linmin: converged after 5 iterations.
- iteration 882: trace = 2.394006607691629 (0.000190846% change)
- linmin: converged after 8 iterations.
- iteration 883: trace = 2.394004935452463 (6.98511e-05% change)
- linmin: converged after 6 iterations.
- iteration 884: trace = 2.394003356094164 (6.59714e-05% change)
- large trace change predicted (0.000162004%)
- linmin: converged after 3 iterations.
- iteration 885: trace = 2.39399947773438 (0.000162003% change)
- linmin: converged after 9 iterations.
- iteration 886: trace = 2.393997603098247 (7.83057e-05% change)
- large trace change predicted (0.000254067%)
- linmin: converged after 6 iterations.
- iteration 887: trace = 2.393991520849144 (0.000254063% change)
- linmin: converged after 6 iterations.
- iteration 888: trace = 2.393982081480052 (0.000394295% change)
- linmin: converged after 5 iterations.
- iteration 889: trace = 2.393976576528157 (0.00022995% change)
- large trace change predicted (0.000726596%)
- linmin: converged after 4 iterations.
- iteration 890: trace = 2.393959186647659 (0.000726404% change)
- linmin: converged after 5 iterations.
- iteration 891: trace = 2.393946679171171 (0.000522461% change)
- linmin: converged after 7 iterations.
- iteration 892: trace = 2.393929882918499 (0.000701616% change)
- linmin: converged after 5 iterations.
- iteration 893: trace = 2.393910467690303 (0.000811022% change)
- linmin: converged after 5 iterations.
- iteration 894: trace = 2.393901562763373 (0.000371983% change)
- linmin: converged after 8 iterations.
- iteration 895: trace = 2.393892916922695 (0.000361162% change)
- linmin: converged after 5 iterations.
- iteration 896: trace = 2.39389096458894 (8.15548e-05% change)
- large trace change predicted (0.000299648%)
- linmin: converged after 6 iterations.
- iteration 897: trace = 2.39388379195875 (0.000299623% change)
- linmin: converged after 3 iterations.
- iteration 898: trace = 2.393878750255292 (0.000210608% change)
- linmin: converged after 7 iterations.
- iteration 899: trace = 2.393875319777359 (0.000143302% change)
- linmin: converged after 6 iterations.
- iteration 900: trace = 2.39386880324487 (0.000272217% change)
- linmin: converged after 2 iterations.
- iteration 901: trace = 2.393865889782401 (0.000121705% change)
- large trace change predicted (0.000474624%)
- linmin: converged after 5 iterations.
- iteration 902: trace = 2.393854529225294 (0.000474571% change)
- linmin: converged after 6 iterations.
- iteration 903: trace = 2.393848780120372 (0.000240161% change)
- linmin: converged after 5 iterations.
- iteration 904: trace = 2.393843160881334 (0.000234737% change)
- linmin: converged after 5 iterations.
- iteration 905: trace = 2.393835197853341 (0.000332647% change)
- linmin: converged after 11 iterations.
- iteration 906: trace = 2.393830256097682 (0.000206437% change)
- linmin: converged after 5 iterations.
- iteration 907: trace = 2.393823740035774 (0.000272203% change)
- large trace change predicted (0.00131531%)
- linmin: converged after 3 iterations.
- iteration 908: trace = 2.393792263317471 (0.00131492% change)
- linmin: converged after 5 iterations.
- iteration 909: trace = 2.39377652602875 (0.000657423% change)
- resetting CG direction...
- linmin: converged after 7 iterations.
- iteration 910: trace = 2.39376330009675 (0.000552515% change)
- linmin: converged after 4 iterations.
- iteration 911: trace = 2.39374238845994 (0.000873592% change)
- linmin: converged after 4 iterations.
- iteration 912: trace = 2.393735033002682 (0.000307279% change)
- linmin: converged after 7 iterations.
- iteration 913: trace = 2.39372912334381 (0.000246881% change)
- linmin: converged after 4 iterations.
- iteration 914: trace = 2.393720884439127 (0.000344188% change)
- linmin: converged after 5 iterations.
- iteration 915: trace = 2.393716308546411 (0.000191163% change)
- linmin: converged after 10 iterations.
- iteration 916: trace = 2.39371181097369 (0.000187891% change)
- linmin: converged after 5 iterations.
- iteration 917: trace = 2.393704834491148 (0.000291451% change)
- linmin: converged after 6 iterations.
- iteration 918: trace = 2.393702382984916 (0.000102415% change)
- large trace change predicted (0.000250766%)
- linmin: converged after 4 iterations.
- iteration 919: trace = 2.393696380507142 (0.000250762% change)
- linmin: converged after 4 iterations.
- iteration 920: trace = 2.393693777334366 (0.000108751% change)
- linmin: converged after 3 iterations.
- iteration 921: trace = 2.39369060811919 (0.000132399% change)
- linmin: converged after 2 iterations.
- iteration 922: trace = 2.393685895928552 (0.000196859% change)
- linmin: converged after 5 iterations.
- iteration 923: trace = 2.393683127047675 (0.000115674% change)
- large trace change predicted (0.000244996%)
- linmin: converged after 5 iterations.
- iteration 924: trace = 2.393677261862061 (0.000245028% change)
- linmin: converged after 5 iterations.
- iteration 925: trace = 2.393669577398056 (0.000321032% change)
- linmin: converged after 8 iterations.
- iteration 926: trace = 2.393664634722948 (0.00020649% change)
- linmin: converged after 4 iterations.
- iteration 927: trace = 2.393656868232361 (0.000324461% change)
- linmin: converged after 5 iterations.
- iteration 928: trace = 2.393649260106471 (0.000317846% change)
- linmin: converged after 5 iterations.
- iteration 929: trace = 2.393637913421805 (0.000474034% change)
- linmin: converged after 6 iterations.
- iteration 930: trace = 2.393627845051446 (0.000420631% change)
- linmin: converged after 6 iterations.
- iteration 931: trace = 2.393623119731646 (0.000197413% change)
- linmin: converged after 11 iterations.
- iteration 932: trace = 2.393616613529423 (0.000271814% change)
- linmin: converged after 3 iterations.
- iteration 933: trace = 2.393614699545965 (7.9962e-05% change)
- linmin: converged after 2 iterations.
- iteration 934: trace = 2.393612284235905 (0.000100906% change)
- linmin: converged after 7 iterations.
- iteration 935: trace = 2.393609583419692 (0.000112834% change)
- linmin: converged after 10 iterations.
- iteration 936: trace = 2.393608895320764 (2.87473e-05% change)
- large trace change predicted (7.45291e-05%)
- linmin: converged after 5 iterations.
- iteration 937: trace = 2.393607111307217 (7.45324e-05% change)
- linmin: converged after 4 iterations.
- iteration 938: trace = 2.393606501000698 (2.54974e-05% change)
- large trace change predicted (0.00011861%)
- linmin: converged after 6 iterations.
- iteration 939: trace = 2.393603661892658 (0.000118612% change)
- linmin: converged after 6 iterations.
- iteration 940: trace = 2.393598716417863 (0.000206612% change)
- linmin: converged after 5 iterations.
- iteration 941: trace = 2.393596074406716 (0.000110378% change)
- large trace change predicted (0.000302045%)
- linmin: converged after 3 iterations.
- iteration 942: trace = 2.393588844334078 (0.000302059% change)
- linmin: converged after 4 iterations.
- iteration 943: trace = 2.393579358283505 (0.000396312% change)
- linmin: converged after 6 iterations.
- iteration 944: trace = 2.393575822360091 (0.000147725% change)
- large trace change predicted (0.000317736%)
- linmin: converged after 6 iterations.
- iteration 945: trace = 2.393568216785492 (0.00031775% change)
- linmin: converged after 6 iterations.
- iteration 946: trace = 2.393562163114726 (0.000252914% change)
- linmin: converged after 6 iterations.
- iteration 947: trace = 2.393555831024061 (0.000264547% change)
- linmin: converged after 4 iterations.
- iteration 948: trace = 2.393545423839673 (0.000434801% change)
- linmin: converged after 6 iterations.
- iteration 949: trace = 2.39354150132934 (0.000163879% change)
- large trace change predicted (0.000476617%)
- linmin: converged after 11 iterations.
- iteration 950: trace = 2.393530092315141 (0.000476659% change)
- linmin: converged after 2 iterations.
- iteration 951: trace = 2.393525465184724 (0.000193318% change)
- linmin: converged after 5 iterations.
- iteration 952: trace = 2.393521452365795 (0.000167653% change)
- linmin: converged after 8 iterations.
- iteration 953: trace = 2.393517957767596 (0.000146002% change)
- linmin: converged after 5 iterations.
- iteration 954: trace = 2.393516584892442 (5.73581e-05% change)
- large trace change predicted (0.000123131%)
- linmin: converged after 4 iterations.
- iteration 955: trace = 2.393513637809922 (0.000123128% change)
- linmin: converged after 10 iterations.
- iteration 956: trace = 2.393510506757236 (0.000130814% change)
- linmin: converged after 5 iterations.
- iteration 957: trace = 2.393507640157566 (0.000119766% change)
- large trace change predicted (0.000313861%)
- linmin: converged after 11 iterations.
- iteration 958: trace = 2.393500127861745 (0.000313862% change)
- linmin: converged after 5 iterations.
- iteration 959: trace = 2.393494788156733 (0.000223092% change)
- linmin: converged after 5 iterations.
- iteration 960: trace = 2.39348434947494 (0.000436128% change)
- linmin: converged after 6 iterations.
- iteration 961: trace = 2.393473336170258 (0.000460138% change)
- linmin: converged after 5 iterations.
- iteration 962: trace = 2.393466176867826 (0.000299118% change)
- linmin: converged after 4 iterations.
- iteration 963: trace = 2.393452298072569 (0.000579863% change)
- linmin: converged after 3 iterations.
- iteration 964: trace = 2.393448656865348 (0.000152132% change)
- large trace change predicted (0.000374091%)
- linmin: converged after 3 iterations.
- iteration 965: trace = 2.393439701805333 (0.00037415% change)
- linmin: converged after 6 iterations.
- iteration 966: trace = 2.393436458255365 (0.000135518% change)
- large trace change predicted (0.000316792%)
- linmin: converged after 4 iterations.
- iteration 967: trace = 2.393428876045128 (0.000316792% change)
- linmin: converged after 5 iterations.
- iteration 968: trace = 2.393426380859422 (0.000104252% change)
- large trace change predicted (0.000244802%)
- linmin: converged after 5 iterations.
- iteration 969: trace = 2.393420520538728 (0.000244851% change)
- linmin: converged after 5 iterations.
- iteration 970: trace = 2.393418851824411 (6.97209e-05% change)
- large trace change predicted (0.00019134%)
- linmin: converged after 3 iterations.
- iteration 971: trace = 2.393414271876066 (0.000191356% change)
- linmin: converged after 7 iterations.
- iteration 972: trace = 2.393413075477578 (4.99871e-05% change)
- large trace change predicted (0.00015086%)
- linmin: converged after 4 iterations.
- iteration 973: trace = 2.393409464217927 (0.000150883% change)
- linmin: converged after 6 iterations.
- iteration 974: trace = 2.393408134152997 (5.5572e-05% change)
- large trace change predicted (0.000120053%)
- linmin: converged after 5 iterations.
- iteration 975: trace = 2.393405260855118 (0.000120051% change)
- linmin: converged after 9 iterations.
- iteration 976: trace = 2.393404383141242 (3.66722e-05% change)
- linmin: converged after 5 iterations.
- iteration 977: trace = 2.393402666045481 (7.17428e-05% change)
- linmin: converged after 5 iterations.
- iteration 978: trace = 2.393401975714696 (2.88431e-05% change)
- large trace change predicted (0.000103563%)
- linmin: converged after 4 iterations.
- iteration 979: trace = 2.393399497148036 (0.000103558% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 980: trace = 2.393398857745352 (2.67153e-05% change)
- linmin: converged after 3 iterations.
- iteration 981: trace = 2.39339801257345 (3.53126e-05% change)
- linmin: converged after 4 iterations.
- iteration 982: trace = 2.393396777174976 (5.16169e-05% change)
- linmin: converged after 13 iterations.
- iteration 983: trace = 2.393396046469055 (3.05301e-05% change)
- large trace change predicted (0.000135784%)
- linmin: converged after 7 iterations.
- iteration 984: trace = 2.393392796856243 (0.000135774% change)
- linmin: converged after 4 iterations.
- iteration 985: trace = 2.3933909388881 (7.76291e-05% change)
- linmin: converged after 8 iterations.
- iteration 986: trace = 2.393388231354699 (0.000113125% change)
- linmin: converged after 6 iterations.
- iteration 987: trace = 2.393385084528441 (0.00013148% change)
- linmin: converged after 7 iterations.
- iteration 988: trace = 2.393383375292374 (7.1415e-05% change)
- large trace change predicted (0.000162227%)
- linmin: converged after 6 iterations.
- iteration 989: trace = 2.39337949267091 (0.000162223% change)
- linmin: converged after 6 iterations.
- iteration 990: trace = 2.393377370493137 (8.86687e-05% change)
- large trace change predicted (0.0002045%)
- linmin: converged after 4 iterations.
- iteration 991: trace = 2.393372476433091 (0.000204484% change)
- linmin: converged after 5 iterations.
- iteration 992: trace = 2.393366010571389 (0.000270157% change)
- linmin: converged after 7 iterations.
- iteration 993: trace = 2.393360582141217 (0.000226812% change)
- linmin: converged after 5 iterations.
- iteration 994: trace = 2.393353007150244 (0.000316501% change)
- linmin: converged after 4 iterations.
- iteration 995: trace = 2.393350017475156 (0.000124916% change)
- large trace change predicted (0.00026056%)
- linmin: converged after 5 iterations.
- iteration 996: trace = 2.39334378203401 (0.000260532% change)
- linmin: converged after 6 iterations.
- iteration 997: trace = 2.393335774007732 (0.000334596% change)
- linmin: converged after 6 iterations.
- iteration 998: trace = 2.393331601744257 (0.000174329% change)
- large trace change predicted (0.000372919%)
- linmin: converged after 13 iterations.
- iteration 999: trace = 2.393322677307343 (0.000372888% change)
- linmin: converged after 13 iterations.
- iteration 1000: trace = 2.393321272804266 (5.86843e-05% change)
- linmin: converged after 8 iterations.
- iteration 1001: trace = 2.393318598405276 (0.000111744% change)
- linmin: converged after 5 iterations.
- iteration 1002: trace = 2.393316904843696 (7.07621e-05% change)
- linmin: converged after 5 iterations.
- iteration 1003: trace = 2.393316064873754 (3.50965e-05% change)
- large trace change predicted (9.3938e-05%)
- linmin: converged after 4 iterations.
- iteration 1004: trace = 2.393313816626083 (9.39386e-05% change)
- linmin: converged after 11 iterations.
- iteration 1005: trace = 2.393312997241325 (3.42364e-05% change)
- large trace change predicted (0.000149882%)
- linmin: converged after 6 iterations.
- iteration 1006: trace = 2.39330941048938 (0.000149866% change)
- linmin: converged after 5 iterations.
- iteration 1007: trace = 2.393306895060383 (0.000105103% change)
- linmin: converged after 5 iterations.
- iteration 1008: trace = 2.393304600723536 (9.58648e-05% change)
- large trace change predicted (0.000192641%)
- linmin: converged after 5 iterations.
- iteration 1009: trace = 2.393299991031353 (0.000192608% change)
- linmin: converged after 5 iterations.
- iteration 1010: trace = 2.393296409280905 (0.000149658% change)
- linmin: converged after 9 iterations.
- iteration 1011: trace = 2.393290678965539 (0.000239432% change)
- linmin: converged after 5 iterations.
- iteration 1012: trace = 2.393286681689123 (0.00016702% change)
- linmin: converged after 6 iterations.
- iteration 1013: trace = 2.393284644429595 (8.5124e-05% change)
- large trace change predicted (0.000189203%)
- linmin: converged after 6 iterations.
- iteration 1014: trace = 2.39328011637136 (0.000189199% change)
- linmin: converged after 6 iterations.
- iteration 1015: trace = 2.393278287913598 (7.63997e-05% change)
- linmin: converged after 4 iterations.
- iteration 1016: trace = 2.393276001261386 (9.55448e-05% change)
- linmin: converged after 3 iterations.
- iteration 1017: trace = 2.393272876472464 (0.000130565% change)
- linmin: converged after 4 iterations.
- iteration 1018: trace = 2.393272160052428 (2.99347e-05% change)
- large trace change predicted (9.79606e-05%)
- linmin: converged after 3 iterations.
- iteration 1019: trace = 2.393269815718094 (9.79552e-05% change)
- linmin: converged after 7 iterations.
- iteration 1020: trace = 2.393269067031305 (3.1283e-05% change)
- linmin: converged after 7 iterations.
- iteration 1021: trace = 2.393268543077747 (2.18928e-05% change)
- linmin: converged after 4 iterations.
- iteration 1022: trace = 2.393267828019735 (2.98779e-05% change)
- linmin: converged after 5 iterations.
- iteration 1023: trace = 2.393267385051577 (1.85089e-05% change)
- linmin: converged after 4 iterations.
- iteration 1024: trace = 2.393266529555258 (3.5746e-05% change)
- linmin: converged after 3 iterations.
- iteration 1025: trace = 2.39326525341969 (5.33219e-05% change)
- linmin: converged after 15 iterations.
- iteration 1026: trace = 2.39326441430694 (3.50614e-05% change)
- large trace change predicted (0.000101647%)
- linmin: converged after 5 iterations.
- iteration 1027: trace = 2.393261981570269 (0.000101649% change)
- linmin: converged after 5 iterations.
- iteration 1028: trace = 2.393260515336318 (6.12651e-05% change)
- linmin: converged after 7 iterations.
- iteration 1029: trace = 2.393257998417836 (0.000105167% change)
- large trace change predicted (0.000247538%)
- linmin: converged after 8 iterations.
- iteration 1030: trace = 2.393252074643331 (0.00024752% change)
- linmin: converged after 8 iterations.
- iteration 1031: trace = 2.393250024021437 (8.56835e-05% change)
- large trace change predicted (0.000206121%)
- linmin: converged after 4 iterations.
- iteration 1032: trace = 2.393245091918589 (0.000206084% change)
- linmin: converged after 6 iterations.
- iteration 1033: trace = 2.393243958621495 (4.7354e-05% change)
- linmin: converged after 3 iterations.
- iteration 1034: trace = 2.393241934798795 (8.4564e-05% change)
- linmin: converged after 9 iterations.
- iteration 1035: trace = 2.393240537244809 (5.83959e-05% change)
- linmin: converged after 9 iterations.
- iteration 1036: trace = 2.39324002778815 (2.12873e-05% change)
- large trace change predicted (5.57942e-05%)
- linmin: converged after 9 iterations.
- iteration 1037: trace = 2.393238692509214 (5.57938e-05% change)
- linmin: converged after 6 iterations.
- iteration 1038: trace = 2.39323802059479 (2.80755e-05% change)
- large trace change predicted (6.07335e-05%)
- linmin: converged after 8 iterations.
- iteration 1039: trace = 2.393236567069471 (6.07347e-05% change)
- linmin: converged after 5 iterations.
- iteration 1040: trace = 2.393235119480474 (6.04867e-05% change)
- linmin: converged after 4 iterations.
- iteration 1041: trace = 2.393233817398129 (5.44068e-05% change)
- linmin: converged after 4 iterations.
- iteration 1042: trace = 2.393232071761479 (7.29405e-05% change)
- linmin: converged after 5 iterations.
- iteration 1043: trace = 2.39323128945811 (3.26882e-05% change)
- large trace change predicted (8.55472e-05%)
- linmin: converged after 4 iterations.
- iteration 1044: trace = 2.393229242214166 (8.55431e-05% change)
- linmin: converged after 6 iterations.
- iteration 1045: trace = 2.393227651783551 (6.64554e-05% change)
- linmin: converged after 7 iterations.
- iteration 1046: trace = 2.393225663833507 (8.30657e-05% change)
- linmin: converged after 6 iterations.
- iteration 1047: trace = 2.393222802787842 (0.000119548% change)
- linmin: converged after 8 iterations.
- iteration 1048: trace = 2.393220864444548 (8.0993e-05% change)
- large trace change predicted (0.000271507%)
- linmin: converged after 4 iterations.
- iteration 1049: trace = 2.393214366687728 (0.000271507% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1050: trace = 2.393210290441174 (0.000170325% change)
- linmin: converged after 5 iterations.
- iteration 1051: trace = 2.393207576173126 (0.000113415% change)
- linmin: converged after 4 iterations.
- iteration 1052: trace = 2.393204382090806 (0.000133465% change)
- linmin: converged after 6 iterations.
- iteration 1053: trace = 2.393203141646405 (5.1832e-05% change)
- linmin: converged after 4 iterations.
- iteration 1054: trace = 2.393201585559278 (6.50211e-05% change)
- linmin: converged after 5 iterations.
- iteration 1055: trace = 2.393199555406358 (8.483e-05% change)
- linmin: converged after 7 iterations.
- iteration 1056: trace = 2.393199048834635 (2.11671e-05% change)
- large trace change predicted (6.37928e-05%)
- linmin: converged after 4 iterations.
- iteration 1057: trace = 2.393197522092076 (6.37951e-05% change)
- linmin: converged after 6 iterations.
- iteration 1058: trace = 2.393196541303609 (4.09824e-05% change)
- linmin: converged after 12 iterations.
- iteration 1059: trace = 2.393195711374781 (3.46787e-05% change)
- linmin: converged after 7 iterations.
- iteration 1060: trace = 2.39319453789427 (4.90341e-05% change)
- linmin: converged after 5 iterations.
- iteration 1061: trace = 2.393194082956864 (1.90096e-05% change)
- large trace change predicted (4.26953e-05%)
- linmin: converged after 5 iterations.
- iteration 1062: trace = 2.393193061154764 (4.26962e-05% change)
- linmin: converged after 13 iterations.
- iteration 1063: trace = 2.393192067371938 (4.15254e-05% change)
- linmin: converged after 5 iterations.
- iteration 1064: trace = 2.393191428683271 (2.66877e-05% change)
- large trace change predicted (7.5277e-05%)
- linmin: converged after 5 iterations.
- iteration 1065: trace = 2.393189627003934 (7.52836e-05% change)
- linmin: converged after 5 iterations.
- iteration 1066: trace = 2.393188640493396 (4.12216e-05% change)
- linmin: converged after 8 iterations.
- iteration 1067: trace = 2.393186825198472 (7.58526e-05% change)
- large trace change predicted (0.000155663%)
- linmin: converged after 7 iterations.
- iteration 1068: trace = 2.393183100095089 (0.000155655% change)
- linmin: converged after 5 iterations.
- iteration 1069: trace = 2.393181932013928 (4.88087e-05% change)
- large trace change predicted (0.000120468%)
- linmin: converged after 12 iterations.
- iteration 1070: trace = 2.393179049354931 (0.000120453% change)
- linmin: converged after 4 iterations.
- iteration 1071: trace = 2.39317841544213 (2.64883e-05% change)
- large trace change predicted (6.14963e-05%)
- linmin: converged after 3 iterations.
- iteration 1072: trace = 2.393176943830439 (6.1492e-05% change)
- linmin: converged after 5 iterations.
- iteration 1073: trace = 2.393176128200228 (3.40815e-05% change)
- linmin: converged after 4 iterations.
- iteration 1074: trace = 2.393175836730765 (1.21792e-05% change)
- large trace change predicted (3.12721e-05%)
- linmin: converged after 8 iterations.
- iteration 1075: trace = 2.393175088311975 (3.1273e-05% change)
- linmin: converged after 6 iterations.
- iteration 1076: trace = 2.393174836913051 (1.05048e-05% change)
- linmin: converged after 5 iterations.
- iteration 1077: trace = 2.393174499953542 (1.408e-05% change)
- linmin: converged after 8 iterations.
- iteration 1078: trace = 2.393173917660776 (2.43314e-05% change)
- linmin: converged after 12 iterations.
- iteration 1079: trace = 2.393173583806723 (1.39503e-05% change)
- large trace change predicted (3.56268e-05%)
- linmin: converged after 6 iterations.
- iteration 1080: trace = 2.393172731134282 (3.56294e-05% change)
- large trace change predicted (7.21561e-05%)
- linmin: converged after 4 iterations.
- iteration 1081: trace = 2.393171004310397 (7.21563e-05% change)
- linmin: converged after 5 iterations.
- iteration 1082: trace = 2.393170288825717 (2.98969e-05% change)
- large trace change predicted (9.661e-05%)
- linmin: converged after 4 iterations.
- iteration 1083: trace = 2.393167976850339 (9.66073e-05% change)
- linmin: converged after 12 iterations.
- iteration 1084: trace = 2.393166861195967 (4.66183e-05% change)
- linmin: converged after 4 iterations.
- iteration 1085: trace = 2.393164724567955 (8.92804e-05% change)
- linmin: converged after 4 iterations.
- iteration 1086: trace = 2.393162654720227 (8.649e-05% change)
- linmin: converged after 5 iterations.
- iteration 1087: trace = 2.393161542554514 (4.64726e-05% change)
- large trace change predicted (9.32381e-05%)
- linmin: converged after 6 iterations.
- iteration 1088: trace = 2.393159311105262 (9.32428e-05% change)
- linmin: converged after 5 iterations.
- iteration 1089: trace = 2.39315628345993 (0.000126513% change)
- linmin: converged after 4 iterations.
- iteration 1090: trace = 2.393155423667713 (3.59271e-05% change)
- large trace change predicted (8.793e-05%)
- linmin: converged after 5 iterations.
- iteration 1091: trace = 2.393153319160044 (8.79387e-05% change)
- linmin: converged after 5 iterations.
- iteration 1092: trace = 2.393152590988818 (3.04273e-05% change)
- linmin: converged after 5 iterations.
- iteration 1093: trace = 2.393151958891362 (2.64128e-05% change)
- linmin: converged after 5 iterations.
- iteration 1094: trace = 2.393151108429939 (3.55373e-05% change)
- linmin: converged after 5 iterations.
- iteration 1095: trace = 2.393150857445542 (1.04876e-05% change)
- large trace change predicted (4.02579e-05%)
- linmin: converged after 7 iterations.
- iteration 1096: trace = 2.393149894031267 (4.02572e-05% change)
- linmin: converged after 6 iterations.
- iteration 1097: trace = 2.393149149982629 (3.10908e-05% change)
- linmin: converged after 15 iterations.
- iteration 1098: trace = 2.393148195430912 (3.98869e-05% change)
- large trace change predicted (0.000119726%)
- linmin: converged after 6 iterations.
- iteration 1099: trace = 2.393145330313613 (0.000119722% change)
- linmin: converged after 6 iterations.
- iteration 1100: trace = 2.393144180958879 (4.8027e-05% change)
- large trace change predicted (0.000107822%)
- linmin: converged after 6 iterations.
- iteration 1101: trace = 2.393141600546532 (0.000107825% change)
- linmin: converged after 4 iterations.
- iteration 1102: trace = 2.393138867497359 (0.000114203% change)
- linmin: converged after 5 iterations.
- iteration 1103: trace = 2.393137437991372 (5.97335e-05% change)
- linmin: converged after 6 iterations.
- iteration 1104: trace = 2.393134889901042 (0.000106475% change)
- linmin: converged after 8 iterations.
- iteration 1105: trace = 2.393134056875987 (3.4809e-05% change)
- large trace change predicted (0.000114227%)
- linmin: converged after 6 iterations.
- iteration 1106: trace = 2.393131323002051 (0.000114238% change)
- linmin: converged after 4 iterations.
- iteration 1107: trace = 2.393130471419162 (3.55845e-05% change)
- linmin: converged after 4 iterations.
- iteration 1108: trace = 2.393129703889396 (3.20722e-05% change)
- linmin: converged after 13 iterations.
- iteration 1109: trace = 2.393128458007009 (5.20608e-05% change)
- linmin: converged after 6 iterations.
- iteration 1110: trace = 2.393128111015753 (1.44995e-05% change)
- large trace change predicted (4.7851e-05%)
- linmin: converged after 7 iterations.
- iteration 1111: trace = 2.39312696584973 (4.78523e-05% change)
- linmin: converged after 8 iterations.
- iteration 1112: trace = 2.3931266391468 (1.36517e-05% change)
- large trace change predicted (3.78281e-05%)
- linmin: converged after 5 iterations.
- iteration 1113: trace = 2.393125733843513 (3.78293e-05% change)
- linmin: converged after 5 iterations.
- iteration 1114: trace = 2.393125357326621 (1.57333e-05% change)
- linmin: converged after 4 iterations.
- iteration 1115: trace = 2.39312510143522 (1.06928e-05% change)
- linmin: converged after 7 iterations.
- iteration 1116: trace = 2.393124646352413 (1.90163e-05% change)
- linmin: converged after 8 iterations.
- iteration 1117: trace = 2.393124566839406 (3.32256e-06% change)
- large trace change predicted (2.60653e-05%)
- linmin: converged after 4 iterations.
- iteration 1118: trace = 2.393123943067639 (2.60652e-05% change)
- linmin: converged after 5 iterations.
- iteration 1119: trace = 2.393123292302728 (2.71931e-05% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1120: trace = 2.393122795144083 (2.07745e-05% change)
- linmin: converged after 3 iterations.
- iteration 1121: trace = 2.393122221499031 (2.39706e-05% change)
- linmin: converged after 9 iterations.
- iteration 1122: trace = 2.393122026857971 (8.13335e-06% change)
- linmin: converged after 9 iterations.
- iteration 1123: trace = 2.393121762135788 (1.10618e-05% change)
- linmin: converged after 5 iterations.
- iteration 1124: trace = 2.393121315690836 (1.86553e-05% change)
- linmin: converged after 12 iterations.
- iteration 1125: trace = 2.393121043248063 (1.13844e-05% change)
- large trace change predicted (2.35221e-05%)
- linmin: converged after 4 iterations.
- iteration 1126: trace = 2.393120480355973 (2.35213e-05% change)
- linmin: converged after 10 iterations.
- iteration 1127: trace = 2.393119750018178 (3.05182e-05% change)
- linmin: converged after 5 iterations.
- iteration 1128: trace = 2.393119411592762 (1.41416e-05% change)
- large trace change predicted (4.9348e-05%)
- linmin: converged after 8 iterations.
- iteration 1129: trace = 2.393118230639719 (4.93479e-05% change)
- linmin: converged after 4 iterations.
- iteration 1130: trace = 2.393117875081792 (1.48575e-05% change)
- large trace change predicted (4.74419e-05%)
- linmin: converged after 3 iterations.
- iteration 1131: trace = 2.393116739756548 (4.74413e-05% change)
- linmin: converged after 5 iterations.
- iteration 1132: trace = 2.393115488628403 (5.22803e-05% change)
- linmin: converged after 12 iterations.
- iteration 1133: trace = 2.393114965220025 (2.18714e-05% change)
- large trace change predicted (8.47535e-05%)
- linmin: converged after 7 iterations.
- iteration 1134: trace = 2.393112937186994 (8.47445e-05% change)
- linmin: converged after 4 iterations.
- iteration 1135: trace = 2.39311180181349 (4.74434e-05% change)
- linmin: converged after 4 iterations.
- iteration 1136: trace = 2.393110339065101 (6.11233e-05% change)
- linmin: converged after 9 iterations.
- iteration 1137: trace = 2.393108472239607 (7.80084e-05% change)
- linmin: converged after 5 iterations.
- iteration 1138: trace = 2.393107594039128 (3.66971e-05% change)
- linmin: converged after 4 iterations.
- iteration 1139: trace = 2.393106173298511 (5.9368e-05% change)
- linmin: converged after 3 iterations.
- iteration 1140: trace = 2.393105006931219 (4.87386e-05% change)
- linmin: converged after 8 iterations.
- iteration 1141: trace = 2.393104440007796 (2.36899e-05% change)
- linmin: converged after 4 iterations.
- iteration 1142: trace = 2.393103689050256 (3.13801e-05% change)
- linmin: converged after 5 iterations.
- iteration 1143: trace = 2.393103499564331 (7.918e-06% change)
- large trace change predicted (1.88069e-05%)
- linmin: converged after 4 iterations.
- iteration 1144: trace = 2.393103049500558 (1.88067e-05% change)
- linmin: converged after 5 iterations.
- iteration 1145: trace = 2.393102732345627 (1.32529e-05% change)
- linmin: converged after 5 iterations.
- iteration 1146: trace = 2.393102478486765 (1.06079e-05% change)
- large trace change predicted (2.48009e-05%)
- linmin: converged after 4 iterations.
- iteration 1147: trace = 2.393101884993238 (2.48002e-05% change)
- linmin: converged after 4 iterations.
- iteration 1148: trace = 2.393101518122005 (1.53304e-05% change)
- large trace change predicted (5.74864e-05%)
- linmin: converged after 18 iterations.
- iteration 1149: trace = 2.393100142463501 (5.74844e-05% change)
- linmin: converged after 5 iterations.
- iteration 1150: trace = 2.393098797410638 (5.62055e-05% change)
- linmin: converged after 7 iterations.
- iteration 1151: trace = 2.393098152780351 (2.69371e-05% change)
- linmin: converged after 4 iterations.
- iteration 1152: trace = 2.393097005977972 (4.79213e-05% change)
- linmin: converged after 3 iterations.
- iteration 1153: trace = 2.393095935653633 (4.47255e-05% change)
- linmin: converged after 5 iterations.
- iteration 1154: trace = 2.393095541297538 (1.64789e-05% change)
- large trace change predicted (5.49254e-05%)
- linmin: converged after 18 iterations.
- iteration 1155: trace = 2.393094226921638 (5.49237e-05% change)
- linmin: converged after 3 iterations.
- iteration 1156: trace = 2.39309396426576 (1.09756e-05% change)
- large trace change predicted (3.10945e-05%)
- linmin: converged after 10 iterations.
- iteration 1157: trace = 2.393093220141118 (3.10947e-05% change)
- linmin: converged after 10 iterations.
- iteration 1158: trace = 2.39309264554897 (2.40104e-05% change)
- linmin: converged after 20 iterations.
- iteration 1159: trace = 2.393092448080255 (8.25161e-06% change)
- linmin: converged after 4 iterations.
- iteration 1160: trace = 2.393092059924631 (1.62198e-05% change)
- linmin: converged after 4 iterations.
- iteration 1161: trace = 2.393091858329862 (8.42403e-06% change)
- linmin: converged after 5 iterations.
- iteration 1162: trace = 2.393091720097054 (5.77633e-06% change)
- linmin: converged after 3 iterations.
- iteration 1163: trace = 2.393091541114908 (7.47912e-06% change)
- linmin: converged after 4 iterations.
- iteration 1164: trace = 2.393091447694025 (3.90377e-06% change)
- large trace change predicted (8.30835e-06%)
- linmin: converged after 15 iterations.
- iteration 1165: trace = 2.393091248865591 (8.30843e-06% change)
- linmin: converged after 10 iterations.
- iteration 1166: trace = 2.393090859375185 (1.62756e-05% change)
- linmin: converged after 7 iterations.
- iteration 1167: trace = 2.393090694880812 (6.87372e-06% change)
- large trace change predicted (3.23481e-05%)
- linmin: converged after 15 iterations.
- iteration 1168: trace = 2.393089920781617 (3.23473e-05% change)
- linmin: converged after 17 iterations.
- iteration 1169: trace = 2.393088972181016 (3.96392e-05% change)
- linmin: converged after 4 iterations.
- iteration 1170: trace = 2.393088551654936 (1.75725e-05% change)
- large trace change predicted (3.88729e-05%)
- linmin: converged after 4 iterations.
- iteration 1171: trace = 2.393087621447286 (3.88706e-05% change)
- linmin: converged after 4 iterations.
- iteration 1172: trace = 2.393087098770607 (2.18411e-05% change)
- linmin: converged after 4 iterations.
- iteration 1173: trace = 2.393086513505814 (2.44565e-05% change)
- linmin: converged after 6 iterations.
- iteration 1174: trace = 2.393085756884826 (3.1617e-05% change)
- linmin: converged after 19 iterations.
- iteration 1175: trace = 2.393085656497844 (4.19488e-06% change)
- large trace change predicted (1.52876e-05%)
- linmin: converged after 5 iterations.
- iteration 1176: trace = 2.39308529065863 (1.52873e-05% change)
- linmin: converged after 8 iterations.
- iteration 1177: trace = 2.393085151679289 (5.80754e-06% change)
- linmin: converged after 5 iterations.
- iteration 1178: trace = 2.393084939720825 (8.85712e-06% change)
- linmin: converged after 5 iterations.
- iteration 1179: trace = 2.393084551457581 (1.62244e-05% change)
- linmin: converged after 3 iterations.
- iteration 1180: trace = 2.39308438782028 (6.83792e-06% change)
- large trace change predicted (1.95492e-05%)
- linmin: converged after 6 iterations.
- iteration 1181: trace = 2.393083920006672 (1.95486e-05% change)
- linmin: converged after 16 iterations.
- iteration 1182: trace = 2.3930835389766 (1.59221e-05% change)
- linmin: converged after 6 iterations.
- iteration 1183: trace = 2.393083287334296 (1.05154e-05% change)
- linmin: converged after 5 iterations.
- iteration 1184: trace = 2.393082885619513 (1.67865e-05% change)
- linmin: converged after 7 iterations.
- iteration 1185: trace = 2.393082543878946 (1.42803e-05% change)
- linmin: converged after 4 iterations.
- iteration 1186: trace = 2.39308201855262 (2.19519e-05% change)
- linmin: converged after 5 iterations.
- iteration 1187: trace = 2.393081060456546 (4.00361e-05% change)
- linmin: converged after 8 iterations.
- iteration 1188: trace = 2.393080464286011 (2.49123e-05% change)
- large trace change predicted (0.000132277%)
- linmin: converged after 4 iterations.
- iteration 1189: trace = 2.393077298895951 (0.000132273% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 1190: trace = 2.393076240239254 (4.42383e-05% change)
- linmin: converged after 4 iterations.
- iteration 1191: trace = 2.393074750140043 (6.22671e-05% change)
- linmin: converged after 8 iterations.
- iteration 1192: trace = 2.393073809711386 (3.92979e-05% change)
- linmin: converged after 18 iterations.
- iteration 1193: trace = 2.39307351609799 (1.22693e-05% change)
- linmin: converged after 4 iterations.
- iteration 1194: trace = 2.393072929586735 (2.45087e-05% change)
- linmin: converged after 5 iterations.
- iteration 1195: trace = 2.393072566130759 (1.51878e-05% change)
- linmin: converged after 6 iterations.
- iteration 1196: trace = 2.393072357762494 (8.70714e-06% change)
- linmin: converged after 5 iterations.
- iteration 1197: trace = 2.393072037362187 (1.33887e-05% change)
- linmin: converged after 6 iterations.
- iteration 1198: trace = 2.393071930524768 (4.46445e-06% change)
- large trace change predicted (9.56957e-06%)
- linmin: converged after 4 iterations.
- iteration 1199: trace = 2.393071701518167 (9.56957e-06% change)
- linmin: converged after 5 iterations.
- iteration 1200: trace = 2.39307140753333 (1.22848e-05% change)
- linmin: converged after 16 iterations.
- iteration 1201: trace = 2.393071323863251 (3.49635e-06% change)
- large trace change predicted (1.10284e-05%)
- linmin: converged after 5 iterations.
- iteration 1202: trace = 2.393071059940076 (1.10286e-05% change)
- linmin: converged after 6 iterations.
- iteration 1203: trace = 2.393070926133761 (5.59141e-06% change)
- linmin: converged after 4 iterations.
- iteration 1204: trace = 2.393070793781081 (5.53066e-06% change)
- large trace change predicted (1.58304e-05%)
- linmin: converged after 4 iterations.
- iteration 1205: trace = 2.393070414942804 (1.58306e-05% change)
- linmin: converged after 4 iterations.
- iteration 1206: trace = 2.393070263111629 (6.34462e-06% change)
- linmin: converged after 19 iterations.
- iteration 1207: trace = 2.393069975221526 (1.20302e-05% change)
- large trace change predicted (2.95267e-05%)
- linmin: converged after 7 iterations.
- iteration 1208: trace = 2.393069268622976 (2.95269e-05% change)
- linmin: converged after 4 iterations.
- iteration 1209: trace = 2.393069118002479 (6.29403e-06% change)
- large trace change predicted (2.71235e-05%)
- linmin: converged after 17 iterations.
- iteration 1210: trace = 2.393068468921886 (2.71234e-05% change)
- linmin: converged after 5 iterations.
- iteration 1211: trace = 2.393068209934187 (1.08224e-05% change)
- linmin: converged after 6 iterations.
- iteration 1212: trace = 2.393067826420286 (1.6026e-05% change)
- linmin: converged after 5 iterations.
- iteration 1213: trace = 2.39306755074399 (1.15198e-05% change)
- linmin: converged after 5 iterations.
- iteration 1214: trace = 2.393067481258047 (2.90363e-06% change)
- large trace change predicted (6.62382e-06%)
- linmin: converged after 7 iterations.
- iteration 1215: trace = 2.393067322743694 (6.6239e-06% change)
- linmin: converged after 9 iterations.
- iteration 1216: trace = 2.393067247866624 (3.12892e-06% change)
- linmin: converged after 4 iterations.
- iteration 1217: trace = 2.393067201984167 (1.91731e-06% change)
- large trace change predicted (5.75137e-06%)
- linmin: converged after 5 iterations.
- iteration 1218: trace = 2.393067064347898 (5.75146e-06% change)
- linmin: converged after 4 iterations.
- iteration 1219: trace = 2.393067013798175 (2.11234e-06% change)
- large trace change predicted (6.27588e-06%)
- linmin: converged after 4 iterations.
- iteration 1220: trace = 2.393066863611985 (6.27589e-06% change)
- linmin: converged after 5 iterations.
- iteration 1221: trace = 2.393066564182733 (1.25124e-05% change)
- linmin: converged after 5 iterations.
- iteration 1222: trace = 2.39306644592344 (4.94175e-06% change)
- large trace change predicted (1.84633e-05%)
- linmin: converged after 6 iterations.
- iteration 1223: trace = 2.393066004079361 (1.84635e-05% change)
- linmin: converged after 5 iterations.
- iteration 1224: trace = 2.393065760666671 (1.01716e-05% change)
- large trace change predicted (2.08722e-05%)
- linmin: converged after 6 iterations.
- iteration 1225: trace = 2.393065261168879 (2.08727e-05% change)
- linmin: converged after 4 iterations.
- iteration 1226: trace = 2.393064858116487 (1.68425e-05% change)
- linmin: converged after 4 iterations.
- iteration 1227: trace = 2.393064647187562 (8.81418e-06% change)
- large trace change predicted (2.02102e-05%)
- linmin: converged after 12 iterations.
- iteration 1228: trace = 2.39306416354039 (2.02104e-05% change)
- linmin: converged after 5 iterations.
- iteration 1229: trace = 2.393063626688344 (2.24337e-05% change)
- linmin: converged after 5 iterations.
- iteration 1230: trace = 2.393063278698965 (1.45416e-05% change)
- linmin: converged after 5 iterations.
- iteration 1231: trace = 2.393062704453462 (2.39963e-05% change)
- linmin: converged after 4 iterations.
- iteration 1232: trace = 2.39306257817967 (5.27666e-06% change)
- linmin: converged after 5 iterations.
- iteration 1233: trace = 2.393062375079716 (8.48703e-06% change)
- linmin: converged after 5 iterations.
- iteration 1234: trace = 2.393062226591907 (6.20493e-06% change)
- linmin: converged after 13 iterations.
- iteration 1235: trace = 2.393062150715249 (3.17069e-06% change)
- large trace change predicted (7.1653e-06%)
- linmin: converged after 4 iterations.
- iteration 1236: trace = 2.393061979244249 (7.16534e-06% change)
- linmin: converged after 10 iterations.
- iteration 1237: trace = 2.393061908567113 (2.95342e-06% change)
- large trace change predicted (1.09655e-05%)
- linmin: converged after 13 iterations.
- iteration 1238: trace = 2.393061646153985 (1.09656e-05% change)
- linmin: converged after 5 iterations.
- iteration 1239: trace = 2.393061357126682 (1.20777e-05% change)
- linmin: converged after 5 iterations.
- iteration 1240: trace = 2.39306106810203 (1.20776e-05% change)
- linmin: converged after 5 iterations.
- iteration 1241: trace = 2.393060602970678 (1.94367e-05% change)
- linmin: converged after 4 iterations.
- iteration 1242: trace = 2.3930602614582 (1.4271e-05% change)
- linmin: converged after 6 iterations.
- iteration 1243: trace = 2.393059776248598 (2.02757e-05% change)
- linmin: converged after 5 iterations.
- iteration 1244: trace = 2.393059160145531 (2.57454e-05% change)
- linmin: converged after 7 iterations.
- iteration 1245: trace = 2.393058912697326 (1.03402e-05% change)
- large trace change predicted (2.06885e-05%)
- linmin: converged after 9 iterations.
- iteration 1246: trace = 2.39305841758815 (2.06894e-05% change)
- linmin: converged after 5 iterations.
- iteration 1247: trace = 2.393058288110684 (5.41054e-06% change)
- large trace change predicted (1.13421e-05%)
- linmin: converged after 2 iterations.
- iteration 1248: trace = 2.393058016687091 (1.13421e-05% change)
- linmin: converged after 4 iterations.
- iteration 1249: trace = 2.393057784387755 (9.70722e-06% change)
- linmin: converged after 4 iterations.
- iteration 1250: trace = 2.393057694039186 (3.77544e-06% change)
- large trace change predicted (1.12147e-05%)
- linmin: converged after 4 iterations.
- iteration 1251: trace = 2.393057425664721 (1.12147e-05% change)
- linmin: converged after 6 iterations.
- iteration 1252: trace = 2.393057344262602 (3.40159e-06% change)
- large trace change predicted (7.092e-06%)
- linmin: converged after 4 iterations.
- iteration 1253: trace = 2.393057174544058 (7.09212e-06% change)
- linmin: converged after 20 iterations.
- iteration 1254: trace = 2.39305706377123 (4.62893e-06% change)
- linmin: converged after 5 iterations.
- iteration 1255: trace = 2.393057004024575 (2.49667e-06% change)
- linmin: converged after 4 iterations.
- iteration 1256: trace = 2.39305691958685 (3.52845e-06% change)
- linmin: converged after 7 iterations.
- iteration 1257: trace = 2.393056878822534 (1.70344e-06% change)
- linmin: converged after 5 iterations.
- iteration 1258: trace = 2.39305681617839 (2.61775e-06% change)
- large trace change predicted (5.79016e-06%)
- linmin: converged after 15 iterations.
- iteration 1259: trace = 2.393056677618627 (5.79007e-06% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1260: trace = 2.393056615081571 (2.61327e-06% change)
- linmin: converged after 4 iterations.
- iteration 1261: trace = 2.393056537874384 (3.2263e-06% change)
- linmin: converged after 5 iterations.
- iteration 1262: trace = 2.393056476760083 (2.55382e-06% change)
- linmin: converged after 3 iterations.
- iteration 1263: trace = 2.393056445828446 (1.29256e-06% change)
- large trace change predicted (3.23548e-06%)
- linmin: converged after 4 iterations.
- iteration 1264: trace = 2.393056368401015 (3.2355e-06% change)
- linmin: converged after 7 iterations.
- iteration 1265: trace = 2.393056228587454 (5.84247e-06% change)
- linmin: converged after 4 iterations.
- iteration 1266: trace = 2.393056180500727 (2.00943e-06% change)
- large trace change predicted (7.96015e-06%)
- linmin: converged after 5 iterations.
- iteration 1267: trace = 2.393055990013713 (7.95999e-06% change)
- linmin: converged after 4 iterations.
- iteration 1268: trace = 2.393055894830834 (3.97746e-06% change)
- linmin: converged after 14 iterations.
- iteration 1269: trace = 2.393055738068435 (6.55072e-06% change)
- linmin: converged after 12 iterations.
- iteration 1270: trace = 2.393055559474342 (7.46301e-06% change)
- linmin: converged after 5 iterations.
- iteration 1271: trace = 2.393055446448873 (4.72306e-06% change)
- large trace change predicted (1.0583e-05%)
- linmin: converged after 4 iterations.
- iteration 1272: trace = 2.393055193199412 (1.05827e-05% change)
- linmin: converged after 4 iterations.
- iteration 1273: trace = 2.393054815707878 (1.57745e-05% change)
- linmin: converged after 11 iterations.
- iteration 1274: trace = 2.393054697166692 (4.95355e-06% change)
- large trace change predicted (1.88963e-05%)
- linmin: converged after 6 iterations.
- iteration 1275: trace = 2.393054244993206 (1.88952e-05% change)
- linmin: converged after 4 iterations.
- iteration 1276: trace = 2.393053985666967 (1.08366e-05% change)
- linmin: converged after 4 iterations.
- iteration 1277: trace = 2.393053817100578 (7.04399e-06% change)
- large trace change predicted (1.72193e-05%)
- linmin: converged after 5 iterations.
- iteration 1278: trace = 2.393053405038393 (1.72191e-05% change)
- linmin: converged after 7 iterations.
- iteration 1279: trace = 2.39305330651077 (4.11723e-06% change)
- large trace change predicted (1.10084e-05%)
- linmin: converged after 7 iterations.
- iteration 1280: trace = 2.39305304307857 (1.10082e-05% change)
- linmin: converged after 12 iterations.
- iteration 1281: trace = 2.393052973546367 (2.90559e-06% change)
- large trace change predicted (5.81259e-06%)
- linmin: converged after 7 iterations.
- iteration 1282: trace = 2.393052834449853 (5.81251e-06% change)
- linmin: converged after 4 iterations.
- iteration 1283: trace = 2.393052788630628 (1.91468e-06% change)
- linmin: converged after 12 iterations.
- iteration 1284: trace = 2.393052698068568 (3.78437e-06% change)
- linmin: converged after 7 iterations.
- iteration 1285: trace = 2.393052666944639 (1.3006e-06% change)
- large trace change predicted (3.6287e-06%)
- linmin: converged after 4 iterations.
- iteration 1286: trace = 2.393052580108233 (3.62869e-06% change)
- linmin: converged after 5 iterations.
- iteration 1287: trace = 2.393052534726269 (1.8964e-06% change)
- large trace change predicted (5.44108e-06%)
- linmin: converged after 13 iterations.
- iteration 1288: trace = 2.393052404519425 (5.44104e-06% change)
- linmin: converged after 5 iterations.
- iteration 1289: trace = 2.393052313475159 (3.80452e-06% change)
- large trace change predicted (1.11147e-05%)
- linmin: converged after 3 iterations.
- iteration 1290: trace = 2.393052047496551 (1.11146e-05% change)
- linmin: converged after 3 iterations.
- iteration 1291: trace = 2.393051891885403 (6.50262e-06% change)
- linmin: converged after 4 iterations.
- iteration 1292: trace = 2.393051718982003 (7.22523e-06% change)
- linmin: converged after 7 iterations.
- iteration 1293: trace = 2.39305143063593 (1.20493e-05% change)
- linmin: converged after 4 iterations.
- iteration 1294: trace = 2.393051301111332 (5.41253e-06% change)
- linmin: converged after 10 iterations.
- iteration 1295: trace = 2.393051073815899 (9.49814e-06% change)
- linmin: converged after 8 iterations.
- iteration 1296: trace = 2.393050980766919 (3.8883e-06% change)
- large trace change predicted (8.42128e-06%)
- linmin: converged after 5 iterations.
- iteration 1297: trace = 2.393050779248155 (8.421e-06% change)
- linmin: converged after 20 iterations.
- iteration 1298: trace = 2.393050700075646 (3.30843e-06% change)
- linmin: converged after 4 iterations.
- iteration 1299: trace = 2.393050577158003 (5.13644e-06% change)
- linmin: converged after 5 iterations.
- iteration 1300: trace = 2.393050512685025 (2.69418e-06% change)
- large trace change predicted (5.60134e-06%)
- linmin: converged after 10 iterations.
- iteration 1301: trace = 2.393050378643705 (5.60127e-06% change)
- linmin: converged after 16 iterations.
- iteration 1302: trace = 2.393050309818964 (2.87603e-06% change)
- linmin: converged after 22 iterations.
- iteration 1303: trace = 2.393050263643945 (1.92955e-06% change)
- linmin: converged after 4 iterations.
- iteration 1304: trace = 2.393050220657166 (1.79632e-06% change)
- linmin: converged after 10 iterations.
- iteration 1305: trace = 2.393050203526576 (7.15847e-07% change)
- linmin: converged after 4 iterations.
- iteration 1306: trace = 2.3930501758973 (1.15456e-06% change)
- linmin: converged after 4 iterations.
- iteration 1307: trace = 2.393050131205801 (1.86755e-06% change)
- linmin: converged after 5 iterations.
- iteration 1308: trace = 2.393050089127964 (1.75833e-06% change)
- large trace change predicted (4.20362e-06%)
- linmin: converged after 6 iterations.
- iteration 1309: trace = 2.393049988533434 (4.20361e-06% change)
- linmin: converged after 4 iterations.
- iteration 1310: trace = 2.393049937494488 (2.1328e-06% change)
- large trace change predicted (8.69199e-06%)
- linmin: converged after 9 iterations.
- iteration 1311: trace = 2.393049729492954 (8.6919e-06% change)
- linmin: converged after 4 iterations.
- iteration 1312: trace = 2.393049607969515 (5.07818e-06% change)
- linmin: converged after 4 iterations.
- iteration 1313: trace = 2.393049501404847 (4.45309e-06% change)
- linmin: converged after 4 iterations.
- iteration 1314: trace = 2.393049323187542 (7.44729e-06% change)
- linmin: converged after 4 iterations.
- iteration 1315: trace = 2.39304926248731 (2.53652e-06% change)
- large trace change predicted (7.06838e-06%)
- linmin: converged after 4 iterations.
- iteration 1316: trace = 2.393049093338875 (7.06832e-06% change)
- linmin: converged after 4 iterations.
- iteration 1317: trace = 2.393049058766344 (1.44471e-06% change)
- large trace change predicted (4.27578e-06%)
- linmin: converged after 4 iterations.
- iteration 1318: trace = 2.393048956446813 (4.2757e-06% change)
- linmin: converged after 4 iterations.
- iteration 1319: trace = 2.393048927188473 (1.22264e-06% change)
- linmin: converged after 10 iterations.
- iteration 1320: trace = 2.393048899655163 (1.15055e-06% change)
- large trace change predicted (2.34947e-06%)
- linmin: converged after 4 iterations.
- iteration 1321: trace = 2.393048843431763 (2.34945e-06% change)
- linmin: converged after 4 iterations.
- iteration 1322: trace = 2.393048816737902 (1.11547e-06% change)
- large trace change predicted (3.55362e-06%)
- linmin: converged after 5 iterations.
- iteration 1323: trace = 2.393048731698826 (3.55359e-06% change)
- linmin: converged after 4 iterations.
- iteration 1324: trace = 2.393048703664522 (1.17149e-06% change)
- large trace change predicted (3.85066e-06%)
- linmin: converged after 7 iterations.
- iteration 1325: trace = 2.393048611517881 (3.8506e-06% change)
- linmin: converged after 4 iterations.
- iteration 1326: trace = 2.393048579464149 (1.33945e-06% change)
- large trace change predicted (3.0756e-06%)
- linmin: converged after 4 iterations.
- iteration 1327: trace = 2.393048505863385 (3.07561e-06% change)
- linmin: converged after 10 iterations.
- iteration 1328: trace = 2.393048443971334 (2.58633e-06% change)
- linmin: converged after 7 iterations.
- iteration 1329: trace = 2.393048381534923 (2.60907e-06% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1330: trace = 2.393048328290756 (2.22495e-06% change)
- linmin: converged after 4 iterations.
- iteration 1331: trace = 2.393048299015218 (1.22336e-06% change)
- large trace change predicted (2.55996e-06%)
- linmin: converged after 4 iterations.
- iteration 1332: trace = 2.393048237753289 (2.56e-06% change)
- linmin: converged after 7 iterations.
- iteration 1333: trace = 2.393048197191078 (1.695e-06% change)
- linmin: converged after 6 iterations.
- iteration 1334: trace = 2.393048129759274 (2.81782e-06% change)
- linmin: converged after 5 iterations.
- iteration 1335: trace = 2.393048041225096 (3.69964e-06% change)
- linmin: converged after 10 iterations.
- iteration 1336: trace = 2.393047995579124 (1.90744e-06% change)
- linmin: converged after 7 iterations.
- iteration 1337: trace = 2.393047932543754 (2.6341e-06% change)
- linmin: converged after 4 iterations.
- iteration 1338: trace = 2.393047913875658 (7.80097e-07% change)
- linmin: converged after 4 iterations.
- iteration 1339: trace = 2.393047876559465 (1.55936e-06% change)
- linmin: converged after 9 iterations.
- iteration 1340: trace = 2.393047856457463 (8.40017e-07% change)
- large trace change predicted (2.36425e-06%)
- linmin: converged after 4 iterations.
- iteration 1341: trace = 2.393047799879071 (2.36428e-06% change)
- linmin: converged after 4 iterations.
- iteration 1342: trace = 2.393047772283724 (1.15315e-06% change)
- large trace change predicted (3.23171e-06%)
- linmin: converged after 7 iterations.
- iteration 1343: trace = 2.393047694946287 (3.23175e-06% change)
- linmin: converged after 5 iterations.
- iteration 1344: trace = 2.393047596511027 (4.11338e-06% change)
- linmin: converged after 5 iterations.
- iteration 1345: trace = 2.393047474833821 (5.08461e-06% change)
- linmin: converged after 11 iterations.
- iteration 1346: trace = 2.393047338806019 (5.68429e-06% change)
- linmin: converged after 4 iterations.
- iteration 1347: trace = 2.393047257982458 (3.37743e-06% change)
- linmin: converged after 4 iterations.
- iteration 1348: trace = 2.393047135550511 (5.11615e-06% change)
- linmin: converged after 14 iterations.
- iteration 1349: trace = 2.393047097102274 (1.60666e-06% change)
- large trace change predicted (3.51195e-06%)
- linmin: converged after 4 iterations.
- iteration 1350: trace = 2.39304701305934 (3.51196e-06% change)
- linmin: converged after 4 iterations.
- iteration 1351: trace = 2.393046984576715 (1.19022e-06% change)
- linmin: converged after 6 iterations.
- iteration 1352: trace = 2.393046931180142 (2.23132e-06% change)
- linmin: converged after 5 iterations.
- iteration 1353: trace = 2.393046915962283 (6.3592e-07% change)
- linmin: converged after 4 iterations.
- iteration 1354: trace = 2.393046897778245 (7.5987e-07% change)
- linmin: converged after 4 iterations.
- iteration 1355: trace = 2.393046878039405 (8.24841e-07% change)
- linmin: converged after 4 iterations.
- iteration 1356: trace = 2.393046866874994 (4.66535e-07% change)
- large trace change predicted (1.46683e-06%)
- linmin: converged after 4 iterations.
- iteration 1357: trace = 2.393046831773244 (1.46682e-06% change)
- linmin: converged after 4 iterations.
- iteration 1358: trace = 2.393046814533188 (7.20423e-07% change)
- large trace change predicted (3.20676e-06%)
- linmin: converged after 4 iterations.
- iteration 1359: trace = 2.393046737793498 (3.20678e-06% change)
- linmin: converged after 4 iterations.
- iteration 1360: trace = 2.393046708205591 (1.23641e-06% change)
- large trace change predicted (4.33715e-06%)
- linmin: converged after 4 iterations.
- iteration 1361: trace = 2.39304660441495 (4.33718e-06% change)
- linmin: converged after 11 iterations.
- iteration 1362: trace = 2.393046566447987 (1.58655e-06% change)
- large trace change predicted (5.08932e-06%)
- linmin: converged after 5 iterations.
- iteration 1363: trace = 2.393046444655694 (5.08942e-06% change)
- linmin: converged after 5 iterations.
- iteration 1364: trace = 2.393046383381343 (2.56052e-06% change)
- linmin: converged after 18 iterations.
- iteration 1365: trace = 2.393046267203792 (4.8548e-06% change)
- linmin: converged after 4 iterations.
- iteration 1366: trace = 2.393046218720034 (2.02603e-06% change)
- linmin: converged after 5 iterations.
- iteration 1367: trace = 2.393046139102549 (3.32704e-06% change)
- linmin: converged after 4 iterations.
- iteration 1368: trace = 2.393046039867581 (4.14681e-06% change)
- linmin: converged after 4 iterations.
- iteration 1369: trace = 2.393046002691606 (1.5535e-06% change)
- large trace change predicted (4.61047e-06%)
- linmin: converged after 7 iterations.
- iteration 1370: trace = 2.39304589235923 (4.61054e-06% change)
- linmin: converged after 8 iterations.
- iteration 1371: trace = 2.39304585265538 (1.65913e-06% change)
- large trace change predicted (3.91846e-06%)
- linmin: converged after 2 iterations.
- iteration 1372: trace = 2.393045758883969 (3.9185e-06% change)
- linmin: converged after 4 iterations.
- iteration 1373: trace = 2.393045702494113 (2.35641e-06% change)
- linmin: converged after 6 iterations.
- iteration 1374: trace = 2.393045627622473 (3.12872e-06% change)
- linmin: converged after 4 iterations.
- iteration 1375: trace = 2.393045587604463 (1.67226e-06% change)
- linmin: converged after 4 iterations.
- iteration 1376: trace = 2.393045559868877 (1.15901e-06% change)
- linmin: converged after 6 iterations.
- iteration 1377: trace = 2.393045517257147 (1.78065e-06% change)
- linmin: converged after 4 iterations.
- iteration 1378: trace = 2.393045504406508 (5.36999e-07% change)
- large trace change predicted (1.65131e-06%)
- linmin: converged after 6 iterations.
- iteration 1379: trace = 2.393045464889901 (1.65131e-06% change)
- linmin: converged after 4 iterations.
- iteration 1380: trace = 2.3930454486097 (6.80313e-07% change)
- large trace change predicted (2.07446e-06%)
- linmin: converged after 4 iterations.
- iteration 1381: trace = 2.393045398966872 (2.07446e-06% change)
- linmin: converged after 4 iterations.
- iteration 1382: trace = 2.393045369916776 (1.21394e-06% change)
- large trace change predicted (3.85259e-06%)
- linmin: converged after 4 iterations.
- iteration 1383: trace = 2.39304527772303 (3.85257e-06% change)
- linmin: converged after 7 iterations.
- iteration 1384: trace = 2.393045250595841 (1.13358e-06% change)
- large trace change predicted (5.11718e-06%)
- linmin: converged after 2 iterations.
- iteration 1385: trace = 2.393045128139787 (5.11716e-06% change)
- linmin: converged after 4 iterations.
- iteration 1386: trace = 2.393045070773681 (2.3972e-06% change)
- linmin: converged after 4 iterations.
- iteration 1387: trace = 2.393044972639807 (4.1008e-06% change)
- linmin: converged after 6 iterations.
- iteration 1388: trace = 2.393044886836283 (3.58554e-06% change)
- linmin: converged after 5 iterations.
- iteration 1389: trace = 2.393044837888691 (2.04541e-06% change)
- large trace change predicted (4.93033e-06%)
- linmin: converged after 20 iterations.
- iteration 1390: trace = 2.393044719900148 (4.93048e-06% change)
- linmin: converged after 5 iterations.
- iteration 1391: trace = 2.393044676916462 (1.79619e-06% change)
- linmin: converged after 6 iterations.
- iteration 1392: trace = 2.393044599321871 (3.2425e-06% change)
- linmin: converged after 8 iterations.
- iteration 1393: trace = 2.393044558794039 (1.69357e-06% change)
- linmin: converged after 5 iterations.
- iteration 1394: trace = 2.39304453182369 (1.12703e-06% change)
- large trace change predicted (3.21347e-06%)
- linmin: converged after 14 iterations.
- iteration 1395: trace = 2.393044454923096 (3.2135e-06% change)
- linmin: converged after 10 iterations.
- iteration 1396: trace = 2.393044427490997 (1.14633e-06% change)
- linmin: converged after 17 iterations.
- iteration 1397: trace = 2.39304440311078 (1.01879e-06% change)
- linmin: converged after 4 iterations.
- iteration 1398: trace = 2.393044358744777 (1.85396e-06% change)
- linmin: converged after 10 iterations.
- iteration 1399: trace = 2.393044343179163 (6.50452e-07% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1400: trace = 2.393044317327115 (1.0803e-06% change)
- linmin: converged after 7 iterations.
- iteration 1401: trace = 2.393044305443318 (4.96597e-07% change)
- large trace change predicted (1.44587e-06%)
- linmin: converged after 9 iterations.
- iteration 1402: trace = 2.393044270842982 (1.44587e-06% change)
- linmin: converged after 4 iterations.
- iteration 1403: trace = 2.393044258847891 (5.01248e-07% change)
- large trace change predicted (1.16614e-06%)
- linmin: converged after 4 iterations.
- iteration 1404: trace = 2.393044230941894 (1.16613e-06% change)
- linmin: converged after 5 iterations.
- iteration 1405: trace = 2.393044209751821 (8.85486e-07% change)
- linmin: converged after 4 iterations.
- iteration 1406: trace = 2.393044196817415 (5.405e-07% change)
- linmin: converged after 4 iterations.
- iteration 1407: trace = 2.393044176109413 (8.65341e-07% change)
- linmin: converged after 4 iterations.
- iteration 1408: trace = 2.393044165731455 (4.33672e-07% change)
- large trace change predicted (1.11444e-06%)
- linmin: converged after 9 iterations.
- iteration 1409: trace = 2.39304413906244 (1.11444e-06% change)
- linmin: converged after 4 iterations.
- iteration 1410: trace = 2.39304409266283 (1.93894e-06% change)
- linmin: converged after 7 iterations.
- iteration 1411: trace = 2.393044078486318 (5.92405e-07% change)
- large trace change predicted (2.66756e-06%)
- linmin: converged after 4 iterations.
- iteration 1412: trace = 2.393044014650757 (2.66755e-06% change)
- linmin: converged after 13 iterations.
- iteration 1413: trace = 2.393043996954741 (7.39477e-07% change)
- large trace change predicted (3.02008e-06%)
- linmin: converged after 4 iterations.
- iteration 1414: trace = 2.393043924683424 (3.02006e-06% change)
- linmin: converged after 22 iterations.
- iteration 1415: trace = 2.393043867848928 (2.37499e-06% change)
- linmin: converged after 6 iterations.
- iteration 1416: trace = 2.393043789572758 (3.27099e-06% change)
- linmin: converged after 4 iterations.
- iteration 1417: trace = 2.393043680263648 (4.56779e-06% change)
- linmin: converged after 4 iterations.
- iteration 1418: trace = 2.393043604443347 (3.16836e-06% change)
- large trace change predicted (7.53611e-06%)
- linmin: converged after 5 iterations.
- iteration 1419: trace = 2.393043424104625 (7.53596e-06% change)
- linmin: converged after 5 iterations.
- iteration 1420: trace = 2.39304335850579 (2.74123e-06% change)
- linmin: converged after 4 iterations.
- iteration 1421: trace = 2.393043254417022 (4.34964e-06% change)
- linmin: converged after 7 iterations.
- iteration 1422: trace = 2.393043214948686 (1.64929e-06% change)
- linmin: converged after 4 iterations.
- iteration 1423: trace = 2.393043156058355 (2.4609e-06% change)
- linmin: converged after 7 iterations.
- iteration 1424: trace = 2.393043140534718 (6.48699e-07% change)
- large trace change predicted (1.5403e-06%)
- linmin: converged after 4 iterations.
- iteration 1425: trace = 2.393043103674845 (1.54029e-06% change)
- linmin: converged after 4 iterations.
- iteration 1426: trace = 2.393043096206218 (3.12097e-07% change)
- large trace change predicted (1.23265e-06%)
- linmin: converged after 4 iterations.
- iteration 1427: trace = 2.393043066708647 (1.23264e-06% change)
- linmin: converged after 4 iterations.
- iteration 1428: trace = 2.393043056058448 (4.45048e-07% change)
- linmin: converged after 4 iterations.
- iteration 1429: trace = 2.393043039632064 (6.86422e-07% change)
- linmin: converged after 8 iterations.
- iteration 1430: trace = 2.393043027183602 (5.20194e-07% change)
- linmin: converged after 7 iterations.
- iteration 1431: trace = 2.393043008271917 (7.90278e-07% change)
- linmin: converged after 4 iterations.
- iteration 1432: trace = 2.39304298706774 (8.86076e-07% change)
- linmin: converged after 4 iterations.
- iteration 1433: trace = 2.393042975421163 (4.86685e-07% change)
- large trace change predicted (1.02001e-06%)
- linmin: converged after 4 iterations.
- iteration 1434: trace = 2.393042951012751 (1.01997e-06% change)
- linmin: converged after 4 iterations.
- iteration 1435: trace = 2.393042942802929 (3.4307e-07% change)
- large trace change predicted (1.14417e-06%)
- linmin: converged after 4 iterations.
- iteration 1436: trace = 2.393042915422527 (1.14417e-06% change)
- linmin: converged after 4 iterations.
- iteration 1437: trace = 2.393042901946042 (5.63153e-07% change)
- linmin: converged after 4 iterations.
- iteration 1438: trace = 2.393042881506296 (8.54132e-07% change)
- linmin: converged after 6 iterations.
- iteration 1439: trace = 2.393042848905756 (1.3623e-06% change)
- linmin: converged after 4 iterations.
- iteration 1440: trace = 2.393042831795804 (7.14987e-07% change)
- large trace change predicted (1.90196e-06%)
- linmin: converged after 4 iterations.
- iteration 1441: trace = 2.393042786282017 (1.90192e-06% change)
- linmin: converged after 5 iterations.
- iteration 1442: trace = 2.393042762916123 (9.76409e-07% change)
- large trace change predicted (2.96397e-06%)
- linmin: converged after 4 iterations.
- iteration 1443: trace = 2.393042691987336 (2.96396e-06% change)
- linmin: converged after 4 iterations.
- iteration 1444: trace = 2.393042661584713 (1.27046e-06% change)
- linmin: converged after 6 iterations.
- iteration 1445: trace = 2.393042635600736 (1.08581e-06% change)
- linmin: converged after 4 iterations.
- iteration 1446: trace = 2.393042584170177 (2.14917e-06% change)
- linmin: converged after 7 iterations.
- iteration 1447: trace = 2.393042571609209 (5.24895e-07% change)
- linmin: converged after 5 iterations.
- iteration 1448: trace = 2.39304254672289 (1.03994e-06% change)
- linmin: converged after 4 iterations.
- iteration 1449: trace = 2.393042537491473 (3.85761e-07% change)
- linmin: converged after 4 iterations.
- iteration 1450: trace = 2.393042523151057 (5.99255e-07% change)
- linmin: converged after 4 iterations.
- iteration 1451: trace = 2.393042515401576 (3.23834e-07% change)
- linmin: converged after 5 iterations.
- iteration 1452: trace = 2.393042508762096 (2.77449e-07% change)
- linmin: converged after 5 iterations.
- iteration 1453: trace = 2.393042498119603 (4.44726e-07% change)
- linmin: converged after 4 iterations.
- iteration 1454: trace = 2.393042495550245 (1.07368e-07% change)
- large trace change predicted (3.63934e-07%)
- linmin: converged after 4 iterations.
- iteration 1455: trace = 2.393042486840826 (3.63948e-07% change)
- linmin: converged after 15 iterations.
- iteration 1456: trace = 2.393042482976052 (1.615e-07% change)
- large trace change predicted (4.02781e-07%)
- linmin: converged after 4 iterations.
- iteration 1457: trace = 2.393042473337595 (4.0277e-07% change)
- linmin: converged after 4 iterations.
- iteration 1458: trace = 2.393042466889655 (2.69445e-07% change)
- large trace change predicted (6.96831e-07%)
- linmin: converged after 6 iterations.
- iteration 1459: trace = 2.393042450214296 (6.96827e-07% change)
- linmin: converged after 13 iterations.
- iteration 1460: trace = 2.393042435095394 (6.31786e-07% change)
- large trace change predicted (1.29455e-06%)
- linmin: converged after 4 iterations.
- iteration 1461: trace = 2.393042404115828 (1.29457e-06% change)
- linmin: converged after 4 iterations.
- iteration 1462: trace = 2.393042360797549 (1.81018e-06% change)
- linmin: converged after 5 iterations.
- iteration 1463: trace = 2.393042331725098 (1.21487e-06% change)
- large trace change predicted (2.61606e-06%)
- linmin: converged after 4 iterations.
- iteration 1464: trace = 2.3930422691221 (2.61604e-06% change)
- linmin: converged after 4 iterations.
- iteration 1465: trace = 2.393042245090208 (1.00424e-06% change)
- linmin: converged after 4 iterations.
- iteration 1466: trace = 2.393042202360237 (1.78559e-06% change)
- linmin: converged after 4 iterations.
- iteration 1467: trace = 2.393042186873802 (6.47144e-07% change)
- linmin: converged after 4 iterations.
- iteration 1468: trace = 2.393042159970332 (1.12424e-06% change)
- linmin: converged after 7 iterations.
- iteration 1469: trace = 2.393042147368954 (5.26584e-07% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 1470: trace = 2.393042136548106 (4.5218e-07% change)
- linmin: converged after 5 iterations.
- iteration 1471: trace = 2.393042120431873 (6.73462e-07% change)
- linmin: converged after 13 iterations.
- iteration 1472: trace = 2.393042100687925 (8.25056e-07% change)
- linmin: converged after 10 iterations.
- iteration 1473: trace = 2.393042086277536 (6.02179e-07% change)
- large trace change predicted (1.28027e-06%)
- linmin: converged after 11 iterations.
- iteration 1474: trace = 2.393042055640114 (1.28027e-06% change)
- linmin: converged after 4 iterations.
- iteration 1475: trace = 2.393042046666956 (3.74969e-07% change)
- large trace change predicted (1.10879e-06%)
- linmin: converged after 4 iterations.
- iteration 1476: trace = 2.393042020132585 (1.10881e-06% change)
- linmin: converged after 6 iterations.
- iteration 1477: trace = 2.393042014240082 (2.46235e-07% change)
- large trace change predicted (5.5522e-07%)
- linmin: converged after 4 iterations.
- iteration 1478: trace = 2.393042000952688 (5.55251e-07% change)
- linmin: converged after 9 iterations.
- iteration 1479: trace = 2.393041993325322 (3.18731e-07% change)
- linmin: converged after 4 iterations.
- iteration 1480: trace = 2.393041985948087 (3.08279e-07% change)
- large trace change predicted (6.94694e-07%)
- linmin: converged after 5 iterations.
- iteration 1481: trace = 2.393041969323515 (6.94705e-07% change)
- linmin: converged after 4 iterations.
- iteration 1482: trace = 2.39304195675522 (5.25202e-07% change)
- large trace change predicted (1.11844e-06%)
- linmin: converged after 3 iterations.
- iteration 1483: trace = 2.393041929990341 (1.11845e-06% change)
- linmin: converged after 6 iterations.
- iteration 1484: trace = 2.393041881010526 (2.04676e-06% change)
- linmin: converged after 4 iterations.
- iteration 1485: trace = 2.393041865018243 (6.68283e-07% change)
- large trace change predicted (1.95539e-06%)
- linmin: converged after 4 iterations.
- iteration 1486: trace = 2.393041818225622 (1.95536e-06% change)
- linmin: converged after 4 iterations.
- iteration 1487: trace = 2.393041786233193 (1.33689e-06% change)
- linmin: converged after 4 iterations.
- iteration 1488: trace = 2.393041764731115 (8.98525e-07% change)
- linmin: converged after 4 iterations.
- iteration 1489: trace = 2.393041732595506 (1.34288e-06% change)
- linmin: converged after 5 iterations.
- iteration 1490: trace = 2.393041726403632 (2.58745e-07% change)
- large trace change predicted (6.73454e-07%)
- linmin: converged after 4 iterations.
- iteration 1491: trace = 2.393041710287322 (6.73465e-07% change)
- linmin: converged after 3 iterations.
- iteration 1492: trace = 2.39304170358024 (2.80274e-07% change)
- linmin: converged after 4 iterations.
- iteration 1493: trace = 2.39304169836967 (2.17738e-07% change)
- linmin: converged after 4 iterations.
- iteration 1494: trace = 2.393041688544389 (4.10577e-07% change)
- linmin: converged after 4 iterations.
- iteration 1495: trace = 2.39304168054873 (3.34121e-07% change)
- linmin: converged after 4 iterations.
- iteration 1496: trace = 2.393041670164577 (4.33931e-07% change)
- linmin: converged after 4 iterations.
- iteration 1497: trace = 2.393041649895999 (8.4698e-07% change)
- linmin: converged after 3 iterations.
- iteration 1498: trace = 2.393041641532912 (3.49475e-07% change)
- large trace change predicted (9.06592e-07%)
- linmin: converged after 6 iterations.
- iteration 1499: trace = 2.393041619837381 (9.06609e-07% change)
- linmin: converged after 7 iterations.
- iteration 1500: trace = 2.393041593964983 (1.08115e-06% change)
- linmin: converged after 4 iterations.
- iteration 1501: trace = 2.393041575070336 (7.89566e-07% change)
- large trace change predicted (1.57987e-06%)
- linmin: converged after 7 iterations.
- iteration 1502: trace = 2.393041537263086 (1.57988e-06% change)
- linmin: converged after 4 iterations.
- iteration 1503: trace = 2.393041525101689 (5.08198e-07% change)
- large trace change predicted (2.48299e-06%)
- linmin: converged after 5 iterations.
- iteration 1504: trace = 2.393041465681474 (2.48304e-06% change)
- linmin: converged after 4 iterations.
- iteration 1505: trace = 2.393041434254244 (1.31328e-06% change)
- linmin: converged after 4 iterations.
- iteration 1506: trace = 2.393041385020626 (2.05737e-06% change)
- linmin: converged after 4 iterations.
- iteration 1507: trace = 2.393041340422551 (1.86366e-06% change)
- linmin: converged after 4 iterations.
- iteration 1508: trace = 2.393041326245856 (5.92413e-07% change)
- large trace change predicted (1.18774e-06%)
- linmin: converged after 5 iterations.
- iteration 1509: trace = 2.393041297822866 (1.18774e-06% change)
- linmin: converged after 4 iterations.
- iteration 1510: trace = 2.393041288709364 (3.80833e-07% change)
- linmin: converged after 15 iterations.
- iteration 1511: trace = 2.393041272254406 (6.87617e-07% change)
- linmin: converged after 4 iterations.
- iteration 1512: trace = 2.393041265101723 (2.98895e-07% change)
- linmin: converged after 4 iterations.
- iteration 1513: trace = 2.393041254927728 (4.25149e-07% change)
- linmin: converged after 4 iterations.
- iteration 1514: trace = 2.393041246505341 (3.51953e-07% change)
- linmin: converged after 4 iterations.
- iteration 1515: trace = 2.393041239630398 (2.87289e-07% change)
- large trace change predicted (9.37233e-07%)
- linmin: converged after 4 iterations.
- iteration 1516: trace = 2.39304121720214 (9.37228e-07% change)
- linmin: converged after 4 iterations.
- iteration 1517: trace = 2.393041209533915 (3.20438e-07% change)
- large trace change predicted (2.15833e-06%)
- linmin: converged after 4 iterations.
- iteration 1518: trace = 2.393041157884193 (2.15833e-06% change)
- linmin: converged after 4 iterations.
- iteration 1519: trace = 2.393041143204537 (6.13431e-07% change)
- linmin: converged after 5 iterations.
- iteration 1520: trace = 2.393041117377532 (1.07925e-06% change)
- linmin: converged after 5 iterations.
- iteration 1521: trace = 2.393041086670575 (1.28318e-06% change)
- linmin: converged after 4 iterations.
- iteration 1522: trace = 2.393041071073566 (6.51765e-07% change)
- large trace change predicted (1.91148e-06%)
- linmin: converged after 4 iterations.
- iteration 1523: trace = 2.393041025330543 (1.9115e-06% change)
- linmin: converged after 11 iterations.
- iteration 1524: trace = 2.393041014386847 (4.57313e-07% change)
- large trace change predicted (1.44187e-06%)
- linmin: converged after 2 iterations.
- iteration 1525: trace = 2.393040979882485 (1.44186e-06% change)
- linmin: converged after 8 iterations.
- iteration 1526: trace = 2.393040972922209 (2.90855e-07% change)
- linmin: converged after 9 iterations.
- iteration 1527: trace = 2.393040959635565 (5.5522e-07% change)
- linmin: converged after 4 iterations.
- iteration 1528: trace = 2.393040948763026 (4.5434e-07% change)
- linmin: converged after 11 iterations.
- iteration 1529: trace = 2.393040929348199 (8.11304e-07% change)
- linmin: converged after 6 iterations.
- iteration 1530: trace = 2.393040912492855 (7.04348e-07% change)
- linmin: converged after 4 iterations.
- iteration 1531: trace = 2.393040904353395 (3.4013e-07% change)
- linmin: converged after 4 iterations.
- iteration 1532: trace = 2.393040895074797 (3.87733e-07% change)
- linmin: converged after 7 iterations.
- iteration 1533: trace = 2.393040887966783 (2.97029e-07% change)
- linmin: converged after 4 iterations.
- iteration 1534: trace = 2.39304088473714 (1.3496e-07% change)
- linmin: converged after 4 iterations.
- iteration 1535: trace = 2.393040879782963 (2.07024e-07% change)
- linmin: converged after 4 iterations.
- iteration 1536: trace = 2.393040875433655 (1.81748e-07% change)
- linmin: converged after 4 iterations.
- iteration 1537: trace = 2.393040870054897 (2.24767e-07% change)
- linmin: converged after 6 iterations.
- iteration 1538: trace = 2.393040868133536 (8.02895e-08% change)
- large trace change predicted (5.60159e-07%)
- linmin: converged after 6 iterations.
- iteration 1539: trace = 2.393040854728649 (5.60161e-07% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1540: trace = 2.393040846794583 (3.31547e-07% change)
- linmin: converged after 4 iterations.
- iteration 1541: trace = 2.393040839758284 (2.94032e-07% change)
- linmin: converged after 4 iterations.
- iteration 1542: trace = 2.39304083543161 (1.80802e-07% change)
- linmin: converged after 5 iterations.
- iteration 1543: trace = 2.393040830813279 (1.9299e-07% change)
- linmin: converged after 9 iterations.
- iteration 1544: trace = 2.393040822632801 (3.41844e-07% change)
- linmin: converged after 4 iterations.
- iteration 1545: trace = 2.393040820074101 (1.06923e-07% change)
- large trace change predicted (4.14473e-07%)
- linmin: converged after 4 iterations.
- iteration 1546: trace = 2.393040810155397 (4.14481e-07% change)
- linmin: converged after 4 iterations.
- iteration 1547: trace = 2.393040806324217 (1.60097e-07% change)
- large trace change predicted (6.23616e-07%)
- linmin: converged after 4 iterations.
- iteration 1548: trace = 2.393040791400556 (6.23628e-07% change)
- linmin: converged after 4 iterations.
- iteration 1549: trace = 2.393040783576778 (3.26939e-07% change)
- large trace change predicted (6.86578e-07%)
- linmin: converged after 4 iterations.
- iteration 1550: trace = 2.393040767146828 (6.86572e-07% change)
- linmin: converged after 6 iterations.
- iteration 1551: trace = 2.393040755370885 (4.92091e-07% change)
- linmin: converged after 4 iterations.
- iteration 1552: trace = 2.393040745746947 (4.02164e-07% change)
- large trace change predicted (9.1558e-07%)
- linmin: converged after 4 iterations.
- iteration 1553: trace = 2.393040723837213 (9.1556e-07% change)
- linmin: converged after 14 iterations.
- iteration 1554: trace = 2.393040712715856 (4.64737e-07% change)
- large trace change predicted (1.22891e-06%)
- linmin: converged after 4 iterations.
- iteration 1555: trace = 2.393040683307668 (1.2289e-06% change)
- linmin: converged after 4 iterations.
- iteration 1556: trace = 2.39304067525139 (3.36654e-07% change)
- large trace change predicted (9.39644e-07%)
- linmin: converged after 4 iterations.
- iteration 1557: trace = 2.393040652765202 (9.39649e-07% change)
- linmin: converged after 4 iterations.
- iteration 1558: trace = 2.393040635201327 (7.33956e-07% change)
- linmin: converged after 4 iterations.
- iteration 1559: trace = 2.393040616804273 (7.68773e-07% change)
- linmin: converged after 4 iterations.
- iteration 1560: trace = 2.393040588653364 (1.17637e-06% change)
- linmin: converged after 13 iterations.
- iteration 1561: trace = 2.393040576846696 (4.93375e-07% change)
- linmin: converged after 4 iterations.
- iteration 1562: trace = 2.393040562742854 (5.89369e-07% change)
- linmin: converged after 16 iterations.
- iteration 1563: trace = 2.393040558864877 (1.62052e-07% change)
- linmin: converged after 8 iterations.
- iteration 1564: trace = 2.393040551966171 (2.88282e-07% change)
- linmin: converged after 4 iterations.
- iteration 1565: trace = 2.393040545470763 (2.71429e-07% change)
- linmin: converged after 9 iterations.
- iteration 1566: trace = 2.393040539815847 (2.36307e-07% change)
- linmin: converged after 13 iterations.
- iteration 1567: trace = 2.39304052929807 (4.39515e-07% change)
- linmin: converged after 4 iterations.
- iteration 1568: trace = 2.393040525338454 (1.65464e-07% change)
- large trace change predicted (5.71985e-07%)
- linmin: converged after 17 iterations.
- iteration 1569: trace = 2.393040511650633 (5.71985e-07% change)
- linmin: converged after 7 iterations.
- iteration 1570: trace = 2.393040503011514 (3.6101e-07% change)
- linmin: converged after 4 iterations.
- iteration 1571: trace = 2.393040489915184 (5.47267e-07% change)
- large trace change predicted (1.32425e-06%)
- linmin: converged after 4 iterations.
- iteration 1572: trace = 2.393040458225228 (1.32425e-06% change)
- linmin: converged after 7 iterations.
- iteration 1573: trace = 2.393040447293773 (4.56802e-07% change)
- large trace change predicted (1.44134e-06%)
- linmin: converged after 4 iterations.
- iteration 1574: trace = 2.393040412802363 (1.44132e-06% change)
- linmin: converged after 4 iterations.
- iteration 1575: trace = 2.393040405226142 (3.16594e-07% change)
- large trace change predicted (8.9362e-07%)
- linmin: converged after 4 iterations.
- iteration 1576: trace = 2.393040383841121 (8.93634e-07% change)
- linmin: converged after 4 iterations.
- iteration 1577: trace = 2.393040378425415 (2.26311e-07% change)
- linmin: converged after 3 iterations.
- iteration 1578: trace = 2.393040368090171 (4.31888e-07% change)
- linmin: converged after 4 iterations.
- iteration 1579: trace = 2.393040362721061 (2.24364e-07% change)
- linmin: converged after 4 iterations.
- iteration 1580: trace = 2.393040355559958 (2.99247e-07% change)
- linmin: converged after 4 iterations.
- iteration 1581: trace = 2.393040349616177 (2.48378e-07% change)
- linmin: converged after 4 iterations.
- iteration 1582: trace = 2.393040342680266 (2.89837e-07% change)
- linmin: converged after 4 iterations.
- iteration 1583: trace = 2.393040339779458 (1.21218e-07% change)
- large trace change predicted (2.53118e-07%)
- linmin: converged after 4 iterations.
- iteration 1584: trace = 2.393040333722471 (2.53108e-07% change)
- linmin: converged after 4 iterations.
- iteration 1585: trace = 2.393040332403908 (5.50999e-08% change)
- large trace change predicted (1.17414e-07%)
- linmin: converged after 3 iterations.
- iteration 1586: trace = 2.39304032959441 (1.17403e-07% change)
- linmin: converged after 4 iterations.
- iteration 1587: trace = 2.393040327573919 (8.4432e-08% change)
- linmin: converged after 5 iterations.
- iteration 1588: trace = 2.393040324923278 (1.10765e-07% change)
- linmin: converged after 9 iterations.
- iteration 1589: trace = 2.393040321174981 (1.56633e-07% change)
- linmin: converged after 4 iterations.
- iteration 1590: trace = 2.39304031728698 (1.62471e-07% change)
- large trace change predicted (3.43055e-07%)
- linmin: converged after 7 iterations.
- iteration 1591: trace = 2.393040309077787 (3.43044e-07% change)
- linmin: converged after 4 iterations.
- iteration 1592: trace = 2.39304030319758 (2.45721e-07% change)
- large trace change predicted (5.00735e-07%)
- linmin: converged after 7 iterations.
- iteration 1593: trace = 2.393040291214803 (5.00734e-07% change)
- linmin: converged after 4 iterations.
- iteration 1594: trace = 2.393040285657796 (2.32215e-07% change)
- large trace change predicted (7.5518e-07%)
- linmin: converged after 4 iterations.
- iteration 1595: trace = 2.39304026758619 (7.55174e-07% change)
- linmin: converged after 5 iterations.
- iteration 1596: trace = 2.393040260156152 (3.10485e-07% change)
- linmin: converged after 5 iterations.
- iteration 1597: trace = 2.39304024849246 (4.87401e-07% change)
- linmin: converged after 5 iterations.
- iteration 1598: trace = 2.393040241879537 (2.7634e-07% change)
- linmin: converged after 4 iterations.
- iteration 1599: trace = 2.393040233351875 (3.56353e-07% change)
- linmin: converged after 4 iterations.
- iteration 1600: trace = 2.393040228954549 (1.83755e-07% change)
- linmin: converged after 5 iterations.
- iteration 1601: trace = 2.393040225950311 (1.25541e-07% change)
- linmin: converged after 4 iterations.
- iteration 1602: trace = 2.393040222668372 (1.37145e-07% change)
- linmin: converged after 4 iterations.
- iteration 1603: trace = 2.393040221259799 (5.88612e-08% change)
- large trace change predicted (1.7018e-07%)
- linmin: converged after 5 iterations.
- iteration 1604: trace = 2.393040217187468 (1.70174e-07% change)
- linmin: converged after 4 iterations.
- iteration 1605: trace = 2.393040215517221 (6.9796e-08% change)
- large trace change predicted (3.49481e-07%)
- linmin: converged after 5 iterations.
- iteration 1606: trace = 2.393040207153975 (3.49482e-07% change)
- linmin: converged after 4 iterations.
- iteration 1607: trace = 2.393040202462497 (1.96047e-07% change)
- linmin: converged after 4 iterations.
- iteration 1608: trace = 2.393040195280202 (3.00133e-07% change)
- linmin: converged after 8 iterations.
- iteration 1609: trace = 2.393040189667386 (2.34547e-07% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1610: trace = 2.39304018718256 (1.03836e-07% change)
- linmin: converged after 9 iterations.
- iteration 1611: trace = 2.393040182931914 (1.77625e-07% change)
- linmin: converged after 4 iterations.
- iteration 1612: trace = 2.393040178208604 (1.97377e-07% change)
- linmin: converged after 4 iterations.
- iteration 1613: trace = 2.393040175099676 (1.29915e-07% change)
- linmin: converged after 4 iterations.
- iteration 1614: trace = 2.393040169009963 (2.54476e-07% change)
- linmin: converged after 3 iterations.
- iteration 1615: trace = 2.39304016378598 (2.18299e-07% change)
- linmin: converged after 4 iterations.
- iteration 1616: trace = 2.393040160235442 (1.48369e-07% change)
- linmin: converged after 4 iterations.
- iteration 1617: trace = 2.39304015486111 (2.24582e-07% change)
- linmin: converged after 3 iterations.
- iteration 1618: trace = 2.39304015328522 (6.5853e-08% change)
- large trace change predicted (1.99454e-07%)
- linmin: converged after 8 iterations.
- iteration 1619: trace = 2.393040148512031 (1.99461e-07% change)
- linmin: converged after 3 iterations.
- iteration 1620: trace = 2.393040146285257 (9.30521e-08% change)
- linmin: converged after 8 iterations.
- iteration 1621: trace = 2.393040143599275 (1.12241e-07% change)
- large trace change predicted (3.1216e-07%)
- linmin: converged after 4 iterations.
- iteration 1622: trace = 2.393040136129033 (3.12165e-07% change)
- linmin: converged after 6 iterations.
- iteration 1623: trace = 2.393040131772109 (1.82066e-07% change)
- large trace change predicted (7.17307e-07%)
- linmin: converged after 5 iterations.
- iteration 1624: trace = 2.393040114606595 (7.1731e-07% change)
- linmin: converged after 4 iterations.
- iteration 1625: trace = 2.393040103331501 (4.71162e-07% change)
- linmin: converged after 4 iterations.
- iteration 1626: trace = 2.393040090893176 (5.19771e-07% change)
- linmin: converged after 12 iterations.
- iteration 1627: trace = 2.393040085166731 (2.39296e-07% change)
- linmin: converged after 4 iterations.
- iteration 1628: trace = 2.393040082167952 (1.25313e-07% change)
- linmin: converged after 4 iterations.
- iteration 1629: trace = 2.393040077925505 (1.77283e-07% change)
- linmin: converged after 4 iterations.
- iteration 1630: trace = 2.393040077041571 (3.69377e-08% change)
- large trace change predicted (1.20255e-07%)
- linmin: converged after 4 iterations.
- iteration 1631: trace = 2.393040074163912 (1.20251e-07% change)
- linmin: converged after 5 iterations.
- iteration 1632: trace = 2.393040073018217 (4.78761e-08% change)
- large trace change predicted (1.5778e-07%)
- linmin: converged after 4 iterations.
- iteration 1633: trace = 2.393040069242464 (1.57781e-07% change)
- linmin: converged after 4 iterations.
- iteration 1634: trace = 2.393040066056172 (1.33148e-07% change)
- linmin: converged after 7 iterations.
- iteration 1635: trace = 2.393040064186434 (7.81323e-08% change)
- large trace change predicted (2.17729e-07%)
- linmin: converged after 4 iterations.
- iteration 1636: trace = 2.393040058975924 (2.17736e-07% change)
- linmin: converged after 18 iterations.
- iteration 1637: trace = 2.393040056631994 (9.79478e-08% change)
- large trace change predicted (2.06355e-07%)
- linmin: converged after 21 iterations.
- iteration 1638: trace = 2.393040051693809 (2.06356e-07% change)
- linmin: converged after 7 iterations.
- iteration 1639: trace = 2.393040044919326 (2.83091e-07% change)
- linmin: converged after 4 iterations.
- iteration 1640: trace = 2.393040038455272 (2.70119e-07% change)
- large trace change predicted (6.5649e-07%)
- linmin: converged after 4 iterations.
- iteration 1641: trace = 2.393040022745184 (6.56491e-07% change)
- linmin: converged after 4 iterations.
- iteration 1642: trace = 2.393040017785466 (2.07256e-07% change)
- large trace change predicted (5.7597e-07%)
- linmin: converged after 13 iterations.
- iteration 1643: trace = 2.393040004001944 (5.75984e-07% change)
- linmin: converged after 4 iterations.
- iteration 1644: trace = 2.393039992584766 (4.77099e-07% change)
- linmin: converged after 8 iterations.
- iteration 1645: trace = 2.393039986722047 (2.4499e-07% change)
- large trace change predicted (6.18843e-07%)
- linmin: converged after 4 iterations.
- iteration 1646: trace = 2.393039971912742 (6.18849e-07% change)
- linmin: converged after 4 iterations.
- iteration 1647: trace = 2.393039968652185 (1.36252e-07% change)
- large trace change predicted (4.0906e-07%)
- linmin: converged after 4 iterations.
- iteration 1648: trace = 2.393039958862991 (4.09069e-07% change)
- linmin: converged after 4 iterations.
- iteration 1649: trace = 2.393039955687987 (1.32677e-07% change)
- linmin: converged after 4 iterations.
- iteration 1650: trace = 2.393039952499427 (1.33243e-07% change)
- linmin: converged after 17 iterations.
- iteration 1651: trace = 2.393039948875656 (1.5143e-07% change)
- linmin: converged after 15 iterations.
- iteration 1652: trace = 2.393039947780938 (4.57459e-08% change)
- large trace change predicted (1.43921e-07%)
- linmin: converged after 8 iterations.
- iteration 1653: trace = 2.393039944337343 (1.439e-07% change)
- linmin: converged after 4 iterations.
- iteration 1654: trace = 2.393039940819313 (1.47011e-07% change)
- linmin: converged after 4 iterations.
- iteration 1655: trace = 2.393039933794701 (2.93543e-07% change)
- linmin: converged after 11 iterations.
- iteration 1656: trace = 2.393039926019022 (3.24929e-07% change)
- linmin: converged after 3 iterations.
- iteration 1657: trace = 2.393039918181645 (3.27507e-07% change)
- linmin: converged after 3 iterations.
- iteration 1658: trace = 2.393039904667981 (5.64707e-07% change)
- linmin: converged after 4 iterations.
- iteration 1659: trace = 2.39303989890842 (2.4068e-07% change)
- linmin: converged after 6 iterations.
- iteration 1660: trace = 2.39303989132106 (3.1706e-07% change)
- linmin: converged after 5 iterations.
- iteration 1661: trace = 2.393039883645333 (3.20752e-07% change)
- linmin: converged after 4 iterations.
- iteration 1662: trace = 2.393039879392801 (1.77704e-07% change)
- linmin: converged after 4 iterations.
- iteration 1663: trace = 2.393039872002189 (3.08838e-07% change)
- linmin: converged after 6 iterations.
- iteration 1664: trace = 2.393039869276012 (1.13921e-07% change)
- large trace change predicted (2.59296e-07%)
- linmin: converged after 4 iterations.
- iteration 1665: trace = 2.393039863070807 (2.59302e-07% change)
- linmin: converged after 4 iterations.
- iteration 1666: trace = 2.393039858189046 (2.03998e-07% change)
- linmin: converged after 5 iterations.
- iteration 1667: trace = 2.393039856356828 (7.65645e-08% change)
- large trace change predicted (2.25229e-07%)
- linmin: converged after 4 iterations.
- iteration 1668: trace = 2.393039850966869 (2.25235e-07% change)
- linmin: converged after 4 iterations.
- iteration 1669: trace = 2.393039849961905 (4.19953e-08% change)
- large trace change predicted (1.31283e-07%)
- linmin: converged after 4 iterations.
- iteration 1670: trace = 2.393039846820505 (1.31272e-07% change)
- linmin: converged after 4 iterations.
- iteration 1671: trace = 2.393039844534271 (9.55368e-08% change)
- linmin: converged after 4 iterations.
- iteration 1672: trace = 2.393039843655392 (3.67265e-08% change)
- large trace change predicted (9.20826e-08%)
- linmin: converged after 4 iterations.
- iteration 1673: trace = 2.393039841451974 (9.20761e-08% change)
- linmin: converged after 6 iterations.
- iteration 1674: trace = 2.393039840143291 (5.4687e-08% change)
- large trace change predicted (2.01592e-07%)
- linmin: converged after 4 iterations.
- iteration 1675: trace = 2.393039835318635 (2.01612e-07% change)
- linmin: converged after 4 iterations.
- iteration 1676: trace = 2.393039832311233 (1.25673e-07% change)
- large trace change predicted (3.40831e-07%)
- linmin: converged after 4 iterations.
- iteration 1677: trace = 2.393039824154822 (3.40839e-07% change)
- large trace change predicted (9.72107e-07%)
- linmin: converged after 4 iterations.
- iteration 1678: trace = 2.393039800892087 (9.721e-07% change)
- linmin: converged after 7 iterations.
- iteration 1679: trace = 2.39303977955218 (8.91749e-07% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1680: trace = 2.393039764010439 (6.49456e-07% change)
- linmin: converged after 4 iterations.
- iteration 1681: trace = 2.393039750055962 (5.83128e-07% change)
- linmin: converged after 4 iterations.
- iteration 1682: trace = 2.393039739693763 (4.33014e-07% change)
- linmin: converged after 4 iterations.
- iteration 1683: trace = 2.393039736613394 (1.28722e-07% change)
- linmin: converged after 4 iterations.
- iteration 1684: trace = 2.393039730625631 (2.50216e-07% change)
- linmin: converged after 4 iterations.
- iteration 1685: trace = 2.393039729934849 (2.88663e-08% change)
- large trace change predicted (7.98981e-08%)
- linmin: converged after 21 iterations.
- iteration 1686: trace = 2.393039728022628 (7.99076e-08% change)
- linmin: converged after 4 iterations.
- iteration 1687: trace = 2.39303972641626 (6.71267e-08% change)
- linmin: converged after 15 iterations.
- iteration 1688: trace = 2.393039725780088 (2.65842e-08% change)
- large trace change predicted (6.05568e-08%)
- linmin: converged after 4 iterations.
- iteration 1689: trace = 2.393039724331282 (6.05425e-08% change)
- linmin: converged after 5 iterations.
- iteration 1690: trace = 2.393039721840434 (1.04087e-07% change)
- linmin: converged after 4 iterations.
- iteration 1691: trace = 2.393039720421821 (5.92808e-08% change)
- large trace change predicted (1.84038e-07%)
- linmin: converged after 21 iterations.
- iteration 1692: trace = 2.393039716017662 (1.8404e-07% change)
- linmin: converged after 2 iterations.
- iteration 1693: trace = 2.393039713790926 (9.30505e-08% change)
- linmin: converged after 4 iterations.
- iteration 1694: trace = 2.393039710845707 (1.23074e-07% change)
- linmin: converged after 3 iterations.
- iteration 1695: trace = 2.393039707018541 (1.59929e-07% change)
- linmin: converged after 4 iterations.
- iteration 1696: trace = 2.393039704780546 (9.3521e-08% change)
- large trace change predicted (2.38218e-07%)
- linmin: converged after 4 iterations.
- iteration 1697: trace = 2.3930396990801 (2.38209e-07% change)
- linmin: converged after 4 iterations.
- iteration 1698: trace = 2.393039694084266 (2.08765e-07% change)
- linmin: converged after 4 iterations.
- iteration 1699: trace = 2.393039692247144 (7.67694e-08% change)
- large trace change predicted (2.55589e-07%)
- linmin: converged after 12 iterations.
- iteration 1700: trace = 2.393039686131317 (2.55567e-07% change)
- linmin: converged after 3 iterations.
- iteration 1701: trace = 2.393039682285895 (1.60692e-07% change)
- linmin: converged after 6 iterations.
- iteration 1702: trace = 2.39303967855377 (1.55957e-07% change)
- linmin: converged after 2 iterations.
- iteration 1703: trace = 2.393039673036079 (2.30572e-07% change)
- linmin: converged after 4 iterations.
- iteration 1704: trace = 2.393039671430901 (6.70769e-08% change)
- linmin: converged after 4 iterations.
- iteration 1705: trace = 2.393039668355911 (1.28497e-07% change)
- linmin: converged after 5 iterations.
- iteration 1706: trace = 2.393039667680652 (2.82176e-08% change)
- linmin: converged after 4 iterations.
- iteration 1707: trace = 2.393039666376056 (5.45163e-08% change)
- linmin: converged after 6 iterations.
- iteration 1708: trace = 2.393039665824615 (2.30435e-08% change)
- large trace change predicted (4.93479e-08%)
- linmin: converged after 12 iterations.
- iteration 1709: trace = 2.393039664643942 (4.93378e-08% change)
- linmin: converged after 5 iterations.
- iteration 1710: trace = 2.393039663040258 (6.70145e-08% change)
- linmin: converged after 6 iterations.
- iteration 1711: trace = 2.393039661111772 (8.05873e-08% change)
- linmin: converged after 4 iterations.
- iteration 1712: trace = 2.393039657473133 (1.52051e-07% change)
- linmin: converged after 4 iterations.
- iteration 1713: trace = 2.393039655456989 (8.42504e-08% change)
- large trace change predicted (2.23248e-07%)
- linmin: converged after 3 iterations.
- iteration 1714: trace = 2.393039650114785 (2.23239e-07% change)
- linmin: converged after 4 iterations.
- iteration 1715: trace = 2.393039647737429 (9.93446e-08% change)
- linmin: converged after 18 iterations.
- iteration 1716: trace = 2.393039643349094 (1.83379e-07% change)
- linmin: converged after 15 iterations.
- iteration 1717: trace = 2.393039639653405 (1.54435e-07% change)
- linmin: converged after 7 iterations.
- iteration 1718: trace = 2.39303963643279 (1.34583e-07% change)
- linmin: converged after 4 iterations.
- iteration 1719: trace = 2.393039632658464 (1.57721e-07% change)
- linmin: converged after 9 iterations.
- iteration 1720: trace = 2.393039631218924 (6.01553e-08% change)
- large trace change predicted (1.30652e-07%)
- linmin: converged after 3 iterations.
- iteration 1721: trace = 2.393039628092728 (1.30637e-07% change)
- linmin: converged after 2 iterations.
- iteration 1722: trace = 2.393039627286453 (3.36925e-08% change)
- linmin: converged after 4 iterations.
- iteration 1723: trace = 2.393039625736548 (6.47672e-08% change)
- linmin: converged after 24 iterations.
- iteration 1724: trace = 2.393039624649981 (4.54053e-08% change)
- linmin: converged after 7 iterations.
- iteration 1725: trace = 2.393039623860726 (3.29813e-08% change)
- linmin: converged after 4 iterations.
- iteration 1726: trace = 2.39303962257965 (5.35334e-08% change)
- linmin: converged after 4 iterations.
- iteration 1727: trace = 2.39303962206265 (2.16043e-08% change)
- linmin: converged after 9 iterations.
- iteration 1728: trace = 2.393039621317967 (3.11187e-08% change)
- linmin: converged after 4 iterations.
- iteration 1729: trace = 2.393039620836857 (2.01045e-08% change)
- linmin: converged after 4 iterations.
- iteration 1730: trace = 2.393039620220901 (2.57395e-08% change)
- linmin: converged after 12 iterations.
- iteration 1731: trace = 2.393039619854805 (1.52984e-08% change)
- large trace change predicted (5.47441e-08%)
- linmin: converged after 15 iterations.
- iteration 1732: trace = 2.39303961854509 (5.47302e-08% change)
- linmin: converged after 6 iterations.
- iteration 1733: trace = 2.393039617970964 (2.39915e-08% change)
- large trace change predicted (8.7852e-08%)
- linmin: converged after 6 iterations.
- iteration 1734: trace = 2.393039615868747 (8.78472e-08% change)
- linmin: converged after 4 iterations.
- iteration 1735: trace = 2.393039614439605 (5.97208e-08% change)
- large trace change predicted (1.21435e-07%)
- linmin: converged after 8 iterations.
- iteration 1736: trace = 2.393039611533673 (1.21433e-07% change)
- linmin: converged after 4 iterations.
- iteration 1737: trace = 2.393039609270611 (9.45685e-08% change)
- linmin: converged after 4 iterations.
- iteration 1738: trace = 2.393039605687984 (1.4971e-07% change)
- linmin: converged after 4 iterations.
- iteration 1739: trace = 2.393039604795215 (3.73069e-08% change)
- large trace change predicted (1.06678e-07%)
- linmin: converged after 3 iterations.
- iteration 1740: trace = 2.393039602242241 (1.06683e-07% change)
- linmin: converged after 8 iterations.
- iteration 1741: trace = 2.393039601477468 (3.19582e-08% change)
- linmin: converged after 4 iterations.
- iteration 1742: trace = 2.393039600237158 (5.18299e-08% change)
- linmin: converged after 7 iterations.
- iteration 1743: trace = 2.393039599567867 (2.79682e-08% change)
- linmin: converged after 5 iterations.
- iteration 1744: trace = 2.393039599073902 (2.06418e-08% change)
- linmin: converged after 3 iterations.
- iteration 1745: trace = 2.393039598422529 (2.72195e-08% change)
- linmin: converged after 8 iterations.
- iteration 1746: trace = 2.393039598036147 (1.61461e-08% change)
- large trace change predicted (4.51394e-08%)
- linmin: converged after 8 iterations.
- iteration 1747: trace = 2.393039596956115 (4.51322e-08% change)
- linmin: converged after 14 iterations.
- iteration 1748: trace = 2.393039596321787 (2.65072e-08% change)
- large trace change predicted (7.90315e-08%)
- linmin: converged after 15 iterations.
- iteration 1749: trace = 2.393039594430727 (7.90233e-08% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1750: trace = 2.393039593907173 (2.18782e-08% change)
- linmin: converged after 4 iterations.
- iteration 1751: trace = 2.393039593420764 (2.0326e-08% change)
- linmin: converged after 4 iterations.
- iteration 1752: trace = 2.39303959273847 (2.85116e-08% change)
- linmin: converged after 3 iterations.
- iteration 1753: trace = 2.393039592362321 (1.57185e-08% change)
- linmin: converged after 3 iterations.
- iteration 1754: trace = 2.393039591834003 (2.20773e-08% change)
- large trace change predicted (5.85305e-08%)
- linmin: converged after 18 iterations.
- iteration 1755: trace = 2.393039590433271 (5.85336e-08% change)
- linmin: converged after 4 iterations.
- iteration 1756: trace = 2.393039590085956 (1.45136e-08% change)
- large trace change predicted (7.01621e-08%)
- linmin: converged after 5 iterations.
- iteration 1757: trace = 2.393039588406655 (7.01744e-08% change)
- linmin: converged after 16 iterations.
- iteration 1758: trace = 2.393039586857253 (6.47462e-08% change)
- linmin: converged after 4 iterations.
- iteration 1759: trace = 2.393039586270855 (2.45043e-08% change)
- large trace change predicted (6.00454e-08%)
- linmin: converged after 4 iterations.
- iteration 1760: trace = 2.393039584833722 (6.00547e-08% change)
- linmin: converged after 12 iterations.
- iteration 1761: trace = 2.393039583698161 (4.74526e-08% change)
- linmin: converged after 4 iterations.
- iteration 1762: trace = 2.393039583088097 (2.54933e-08% change)
- large trace change predicted (1.17534e-07%)
- linmin: converged after 4 iterations.
- iteration 1763: trace = 2.393039580275759 (1.17522e-07% change)
- linmin: converged after 4 iterations.
- iteration 1764: trace = 2.393039579470448 (3.36522e-08% change)
- large trace change predicted (1.21013e-07%)
- linmin: converged after 3 iterations.
- iteration 1765: trace = 2.393039576574571 (1.21013e-07% change)
- linmin: converged after 18 iterations.
- iteration 1766: trace = 2.393039575236267 (5.59249e-08% change)
- linmin: converged after 24 iterations.
- iteration 1767: trace = 2.39303957429082 (3.95082e-08% change)
- linmin: converged after 15 iterations.
- iteration 1768: trace = 2.393039572447418 (7.70318e-08% change)
- linmin: converged after 4 iterations.
- iteration 1769: trace = 2.393039571723361 (3.02568e-08% change)
- linmin: converged after 13 iterations.
- iteration 1770: trace = 2.393039570725867 (4.16831e-08% change)
- linmin: converged after 4 iterations.
- iteration 1771: trace = 2.393039570156724 (2.37833e-08% change)
- linmin: converged after 4 iterations.
- iteration 1772: trace = 2.393039569973194 (7.66929e-09% change)
- large trace change predicted (1.97065e-08%)
- linmin: converged after 4 iterations.
- iteration 1773: trace = 2.393039569501248 (1.97216e-08% change)
- linmin: converged after 6 iterations.
- iteration 1774: trace = 2.393039568825229 (2.82494e-08% change)
- linmin: converged after 4 iterations.
- iteration 1775: trace = 2.39303956850532 (1.33683e-08% change)
- large trace change predicted (7.00244e-08%)
- linmin: converged after 3 iterations.
- iteration 1776: trace = 2.393039566829835 (7.0015e-08% change)
- linmin: converged after 8 iterations.
- iteration 1777: trace = 2.393039564616725 (9.24811e-08% change)
- linmin: converged after 4 iterations.
- iteration 1778: trace = 2.393039562203077 (1.00861e-07% change)
- linmin: converged after 4 iterations.
- iteration 1779: trace = 2.393039558363005 (1.60468e-07% change)
- linmin: converged after 4 iterations.
- iteration 1780: trace = 2.3930395566286 (7.24771e-08% change)
- linmin: converged after 4 iterations.
- iteration 1781: trace = 2.393039553776727 (1.19174e-07% change)
- linmin: converged after 5 iterations.
- iteration 1782: trace = 2.393039551186797 (1.08228e-07% change)
- linmin: converged after 4 iterations.
- iteration 1783: trace = 2.39303955064044 (2.28311e-08% change)
- large trace change predicted (8.77814e-08%)
- linmin: converged after 4 iterations.
- iteration 1784: trace = 2.393039548539862 (8.77787e-08% change)
- linmin: converged after 4 iterations.
- iteration 1785: trace = 2.393039547972618 (2.37039e-08% change)
- linmin: converged after 5 iterations.
- iteration 1786: trace = 2.393039546964365 (4.21328e-08% change)
- linmin: converged after 4 iterations.
- iteration 1787: trace = 2.393039545797441 (4.87633e-08% change)
- linmin: converged after 4 iterations.
- iteration 1788: trace = 2.393039545237163 (2.34128e-08% change)
- large trace change predicted (5.90909e-08%)
- linmin: converged after 5 iterations.
- iteration 1789: trace = 2.393039543822896 (5.90992e-08% change)
- linmin: converged after 12 iterations.
- iteration 1790: trace = 2.393039543032467 (3.30303e-08% change)
- linmin: converged after 4 iterations.
- iteration 1791: trace = 2.393039542577954 (1.89931e-08% change)
- linmin: converged after 8 iterations.
- iteration 1792: trace = 2.393039541763135 (3.40496e-08% change)
- linmin: converged after 6 iterations.
- iteration 1793: trace = 2.393039541043551 (3.00699e-08% change)
- linmin: converged after 4 iterations.
- iteration 1794: trace = 2.393039539963685 (4.51253e-08% change)
- large trace change predicted (1.10838e-07%)
- linmin: converged after 15 iterations.
- iteration 1795: trace = 2.393039537311493 (1.10829e-07% change)
- linmin: converged after 4 iterations.
- iteration 1796: trace = 2.393039536333442 (4.08707e-08% change)
- large trace change predicted (1.75768e-07%)
- linmin: converged after 5 iterations.
- iteration 1797: trace = 2.39303953212755 (1.75755e-07% change)
- linmin: converged after 9 iterations.
- iteration 1798: trace = 2.393039529326443 (1.17052e-07% change)
- linmin: converged after 4 iterations.
- iteration 1799: trace = 2.393039528185163 (4.76917e-08% change)
- linmin: converged after 4 iterations.
- iteration 1800: trace = 2.393039526870903 (5.49201e-08% change)
- linmin: converged after 4 iterations.
- iteration 1801: trace = 2.393039526155441 (2.98976e-08% change)
- linmin: converged after 3 iterations.
- iteration 1802: trace = 2.39303952518417 (4.05874e-08% change)
- linmin: converged after 5 iterations.
- iteration 1803: trace = 2.393039524266048 (3.83664e-08% change)
- linmin: converged after 5 iterations.
- iteration 1804: trace = 2.39303952384891 (1.74313e-08% change)
- linmin: converged after 4 iterations.
- iteration 1805: trace = 2.393039523062919 (3.28449e-08% change)
- linmin: converged after 4 iterations.
- iteration 1806: trace = 2.393039522721636 (1.42615e-08% change)
- linmin: converged after 3 iterations.
- iteration 1807: trace = 2.393039522211775 (2.1306e-08% change)
- linmin: converged after 6 iterations.
- iteration 1808: trace = 2.393039521398135 (3.40003e-08% change)
- linmin: converged after 6 iterations.
- iteration 1809: trace = 2.393039521165752 (9.71081e-09% change)
- large trace change predicted (3.80548e-08%)
- linmin: converged after 3 iterations.
- iteration 1810: trace = 2.3930395202551 (3.80542e-08% change)
- linmin: converged after 15 iterations.
- iteration 1811: trace = 2.393039519938909 (1.32129e-08% change)
- large trace change predicted (3.44102e-08%)
- linmin: converged after 13 iterations.
- iteration 1812: trace = 2.393039519115651 (3.44022e-08% change)
- linmin: converged after 3 iterations.
- iteration 1813: trace = 2.393039518426034 (2.88176e-08% change)
- linmin: converged after 15 iterations.
- iteration 1814: trace = 2.393039518035018 (1.63397e-08% change)
- large trace change predicted (1.68317e-07%)
- linmin: converged after 4 iterations.
- iteration 1815: trace = 2.393039514007436 (1.68304e-07% change)
- linmin: converged after 5 iterations.
- iteration 1816: trace = 2.393039512300944 (7.13106e-08% change)
- large trace change predicted (4.1775e-07%)
- linmin: converged after 4 iterations.
- iteration 1817: trace = 2.393039502304406 (4.17734e-07% change)
- linmin: converged after 4 iterations.
- iteration 1818: trace = 2.393039495015239 (3.04599e-07% change)
- linmin: converged after 9 iterations.
- iteration 1819: trace = 2.393039488570439 (2.69314e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 1820: trace = 2.393039484081988 (1.87563e-07% change)
- linmin: converged after 22 iterations.
- iteration 1821: trace = 2.393039479568118 (1.88625e-07% change)
- linmin: converged after 5 iterations.
- iteration 1822: trace = 2.39303947350885 (2.53204e-07% change)
- linmin: converged after 4 iterations.
- iteration 1823: trace = 2.393039472501099 (4.21117e-08% change)
- large trace change predicted (1.00227e-07%)
- linmin: converged after 5 iterations.
- iteration 1824: trace = 2.393039470102659 (1.00226e-07% change)
- linmin: converged after 5 iterations.
- iteration 1825: trace = 2.393039469587826 (2.15138e-08% change)
- linmin: converged after 7 iterations.
- iteration 1826: trace = 2.393039469284597 (1.26713e-08% change)
- linmin: converged after 9 iterations.
- iteration 1827: trace = 2.393039468989501 (1.23314e-08% change)
- linmin: converged after 3 iterations.
- iteration 1828: trace = 2.393039468762381 (9.49086e-09% change)
- linmin: converged after 4 iterations.
- iteration 1829: trace = 2.393039468582002 (7.53763e-09% change)
- large trace change predicted (1.64284e-08%)
- linmin: converged after 4 iterations.
- iteration 1830: trace = 2.393039468188831 (1.64298e-08% change)
- linmin: converged after 3 iterations.
- iteration 1831: trace = 2.393039468077939 (4.63395e-09% change)
- large trace change predicted (1.58455e-08%)
- linmin: converged after 9 iterations.
- iteration 1832: trace = 2.393039467698462 (1.58575e-08% change)
- linmin: converged after 3 iterations.
- iteration 1833: trace = 2.393039467482168 (9.03845e-09% change)
- linmin: converged after 18 iterations.
- iteration 1834: trace = 2.393039467374841 (4.48495e-09% change)
- large trace change predicted (1.43701e-08%)
- linmin: converged after 4 iterations.
- iteration 1835: trace = 2.393039467030893 (1.43729e-08% change)
- linmin: converged after 3 iterations.
- iteration 1836: trace = 2.393039466657457 (1.56051e-08% change)
- linmin: converged after 4 iterations.
- iteration 1837: trace = 2.393039466447072 (8.7915e-09% change)
- large trace change predicted (2.66367e-08%)
- linmin: converged after 3 iterations.
- iteration 1838: trace = 2.393039465809741 (2.66327e-08% change)
- linmin: converged after 5 iterations.
- iteration 1839: trace = 2.393039465355733 (1.8972e-08% change)
- linmin: converged after 15 iterations.
- iteration 1840: trace = 2.393039464852271 (2.10386e-08% change)
- linmin: converged after 4 iterations.
- iteration 1841: trace = 2.393039463876717 (4.07663e-08% change)
- linmin: converged after 4 iterations.
- iteration 1842: trace = 2.393039463386607 (2.04806e-08% change)
- linmin: converged after 3 iterations.
- iteration 1843: trace = 2.39303946247426 (3.8125e-08% change)
- linmin: converged after 3 iterations.
- iteration 1844: trace = 2.393039461892562 (2.43079e-08% change)
- linmin: converged after 4 iterations.
- iteration 1845: trace = 2.39303946153948 (1.47545e-08% change)
- linmin: converged after 3 iterations.
- iteration 1846: trace = 2.393039461269766 (1.12708e-08% change)
- linmin: converged after 9 iterations.
- iteration 1847: trace = 2.393039461177974 (3.83582e-09% change)
- linmin: converged after 3 iterations.
- iteration 1848: trace = 2.393039461018711 (6.65523e-09% change)
- linmin: converged after 5 iterations.
- iteration 1849: trace = 2.3930394607626 (1.07023e-08% change)
- linmin: converged after 5 iterations.
- iteration 1850: trace = 2.393039460614487 (6.18931e-09% change)
- large trace change predicted (1.47165e-08%)
- linmin: converged after 12 iterations.
- iteration 1851: trace = 2.393039460262448 (1.4711e-08% change)
- linmin: converged after 4 iterations.
- iteration 1852: trace = 2.393039460137845 (5.20689e-09% change)
- large trace change predicted (1.17363e-08%)
- linmin: converged after 5 iterations.
- iteration 1853: trace = 2.393039459856961 (1.17375e-08% change)
- linmin: converged after 12 iterations.
- iteration 1854: trace = 2.393039459634852 (9.28148e-09% change)
- linmin: converged after 4 iterations.
- iteration 1855: trace = 2.393039459337167 (1.24396e-08% change)
- linmin: converged after 15 iterations.
- iteration 1856: trace = 2.393039458920251 (1.7422e-08% change)
- linmin: converged after 5 iterations.
- iteration 1857: trace = 2.393039458671261 (1.04048e-08% change)
- large trace change predicted (3.21123e-08%)
- linmin: converged after 3 iterations.
- iteration 1858: trace = 2.393039457902927 (3.2107e-08% change)
- linmin: converged after 5 iterations.
- iteration 1859: trace = 2.393039457625665 (1.15862e-08% change)
- large trace change predicted (3.00343e-08%)
- linmin: converged after 3 iterations.
- iteration 1860: trace = 2.393039456907079 (3.00282e-08% change)
- linmin: converged after 4 iterations.
- iteration 1861: trace = 2.393039456614725 (1.22168e-08% change)
- linmin: converged after 4 iterations.
- iteration 1862: trace = 2.393039456209651 (1.69272e-08% change)
- linmin: converged after 4 iterations.
- iteration 1863: trace = 2.393039455745036 (1.94152e-08% change)
- linmin: converged after 3 iterations.
- iteration 1864: trace = 2.393039455610807 (5.60915e-09% change)
- large trace change predicted (1.26266e-08%)
- linmin: converged after 4 iterations.
- iteration 1865: trace = 2.393039455308747 (1.26225e-08% change)
- linmin: converged after 4 iterations.
- iteration 1866: trace = 2.393039455241222 (2.82171e-09% change)
- large trace change predicted (6.66801e-09%)
- linmin: converged after 12 iterations.
- iteration 1867: trace = 2.393039455081451 (6.6765e-09% change)
- linmin: converged after 3 iterations.
- iteration 1868: trace = 2.393039455035793 (1.90796e-09% change)
- linmin: converged after 6 iterations.
- iteration 1869: trace = 2.393039454965693 (2.92931e-09% change)
- linmin: converged after 9 iterations.
- iteration 1870: trace = 2.39303945485351 (4.68789e-09% change)
- linmin: converged after 16 iterations.
- iteration 1871: trace = 2.393039454815288 (1.59723e-09% change)
- large trace change predicted (8.30957e-09%)
- linmin: converged after 4 iterations.
- iteration 1872: trace = 2.39303945461575 (8.33824e-09% change)
- linmin: converged after 4 iterations.
- iteration 1873: trace = 2.393039454542886 (3.04485e-09% change)
- large trace change predicted (1.46625e-08%)
- linmin: converged after 5 iterations.
- iteration 1874: trace = 2.393039454191828 (1.467e-08% change)
- linmin: converged after 4 iterations.
- iteration 1875: trace = 2.393039453902738 (1.20805e-08% change)
- linmin: converged after 8 iterations.
- iteration 1876: trace = 2.393039453663679 (9.98976e-09% change)
- large trace change predicted (2.14744e-08%)
- linmin: converged after 4 iterations.
- iteration 1877: trace = 2.393039453149391 (2.1491e-08% change)
- linmin: converged after 3 iterations.
- iteration 1878: trace = 2.393039453036628 (4.71215e-09% change)
- large trace change predicted (1.02485e-08%)
- linmin: converged after 6 iterations.
- iteration 1879: trace = 2.393039452791139 (1.02585e-08% change)
- linmin: converged after 3 iterations.
- iteration 1880: trace = 2.393039452714517 (3.20186e-09% change)
- linmin: converged after 9 iterations.
- iteration 1881: trace = 2.393039452573159 (5.90703e-09% change)
- linmin: converged after 9 iterations.
- iteration 1882: trace = 2.393039452507627 (2.73844e-09% change)
- linmin: converged after 4 iterations.
- iteration 1883: trace = 2.393039452386425 (5.06478e-09% change)
- linmin: converged after 3 iterations.
- iteration 1884: trace = 2.393039452227881 (6.62523e-09% change)
- linmin: converged after 15 iterations.
- iteration 1885: trace = 2.393039452127997 (4.17392e-09% change)
- linmin: converged after 12 iterations.
- iteration 1886: trace = 2.393039451946437 (7.58701e-09% change)
- linmin: converged after 6 iterations.
- iteration 1887: trace = 2.393039451900567 (1.91681e-09% change)
- large trace change predicted (4.3894e-09%)
- linmin: converged after 6 iterations.
- iteration 1888: trace = 2.393039451795502 (4.39044e-09% change)
- linmin: converged after 5 iterations.
- iteration 1889: trace = 2.393039451755762 (1.66064e-09% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 1890: trace = 2.393039451734298 (8.9696e-10% change)
- large trace change predicted (1.9434e-09%)
- linmin: converged after 4 iterations.
- iteration 1891: trace = 2.3930394516882 (1.92635e-09% change)
- linmin: converged after 6 iterations.
- iteration 1892: trace = 2.393039451626216 (2.59015e-09% change)
- linmin: converged after 6 iterations.
- iteration 1893: trace = 2.393039451575114 (2.13545e-09% change)
- large trace change predicted (6.37908e-09%)
- linmin: converged after 6 iterations.
- iteration 1894: trace = 2.393039451422565 (6.37468e-09% change)
- linmin: converged after 3 iterations.
- iteration 1895: trace = 2.393039451352757 (2.91715e-09% change)
- large trace change predicted (7.30897e-09%)
- linmin: converged after 4 iterations.
- iteration 1896: trace = 2.39303945117764 (7.31778e-09% change)
- linmin: converged after 4 iterations.
- iteration 1897: trace = 2.393039451014691 (6.80928e-09% change)
- linmin: converged after 5 iterations.
- iteration 1898: trace = 2.393039450928482 (3.60248e-09% change)
- linmin: converged after 3 iterations.
- iteration 1899: trace = 2.393039450766429 (6.77187e-09% change)
- linmin: converged after 10 iterations.
- iteration 1900: trace = 2.393039450619521 (6.13894e-09% change)
- linmin: converged after 9 iterations.
- iteration 1901: trace = 2.393039450481397 (5.77193e-09% change)
- large trace change predicted (1.37452e-08%)
- linmin: converged after 6 iterations.
- iteration 1902: trace = 2.39303945015247 (1.37451e-08% change)
- linmin: converged after 13 iterations.
- iteration 1903: trace = 2.393039450075025 (3.23627e-09% change)
- large trace change predicted (1.02231e-08%)
- linmin: converged after 5 iterations.
- iteration 1904: trace = 2.393039449830154 (1.02326e-08% change)
- linmin: converged after 4 iterations.
- iteration 1905: trace = 2.393039449594766 (9.83635e-09% change)
- linmin: converged after 5 iterations.
- iteration 1906: trace = 2.39303944946226 (5.53716e-09% change)
- linmin: converged after 3 iterations.
- iteration 1907: trace = 2.393039449276768 (7.75132e-09% change)
- linmin: converged after 4 iterations.
- iteration 1908: trace = 2.393039449097325 (7.49851e-09% change)
- linmin: converged after 4 iterations.
- iteration 1909: trace = 2.393039449014233 (3.47225e-09% change)
- linmin: converged after 3 iterations.
- iteration 1910: trace = 2.39303944891337 (4.21488e-09% change)
- linmin: converged after 4 iterations.
- iteration 1911: trace = 2.393039448891721 (9.04643e-10% change)
- large trace change predicted (2.88798e-09%)
- linmin: converged after 3 iterations.
- iteration 1912: trace = 2.393039448822574 (2.8895e-09% change)
- linmin: converged after 4 iterations.
- iteration 1913: trace = 2.393039448767053 (2.32012e-09% change)
- linmin: converged after 5 iterations.
- iteration 1914: trace = 2.393039448712644 (2.27363e-09% change)
- large trace change predicted (9.76691e-09%)
- linmin: converged after 4 iterations.
- iteration 1915: trace = 2.393039448479089 (9.75976e-09% change)
- linmin: converged after 4 iterations.
- iteration 1916: trace = 2.393039448401244 (3.25299e-09% change)
- large trace change predicted (1.54244e-08%)
- linmin: converged after 4 iterations.
- iteration 1917: trace = 2.393039448032157 (1.54233e-08% change)
- linmin: converged after 4 iterations.
- iteration 1918: trace = 2.393039447852846 (7.49301e-09% change)
- large trace change predicted (2.05023e-08%)
- linmin: converged after 5 iterations.
- iteration 1919: trace = 2.39303944736242 (2.04939e-08% change)
- linmin: converged after 4 iterations.
- iteration 1920: trace = 2.393039447052423 (1.29541e-08% change)
- linmin: converged after 3 iterations.
- iteration 1921: trace = 2.393039446896045 (6.5347e-09% change)
- linmin: converged after 14 iterations.
- iteration 1922: trace = 2.393039446616436 (1.16843e-08% change)
- linmin: converged after 6 iterations.
- iteration 1923: trace = 2.393039446530206 (3.60337e-09% change)
- large trace change predicted (1.233e-08%)
- linmin: converged after 4 iterations.
- iteration 1924: trace = 2.393039446235395 (1.23195e-08% change)
- linmin: converged after 4 iterations.
- iteration 1925: trace = 2.393039446120371 (4.80661e-09% change)
- large trace change predicted (9.74189e-09%)
- linmin: converged after 4 iterations.
- iteration 1926: trace = 2.39303944588754 (9.72951e-09% change)
- linmin: converged after 3 iterations.
- iteration 1927: trace = 2.393039445710361 (7.40394e-09% change)
- linmin: converged after 5 iterations.
- iteration 1928: trace = 2.393039445643736 (2.78411e-09% change)
- linmin: converged after 5 iterations.
- iteration 1929: trace = 2.393039445510909 (5.55054e-09% change)
- linmin: converged after 5 iterations.
- iteration 1930: trace = 2.393039445448921 (2.59037e-09% change)
- linmin: converged after 3 iterations.
- iteration 1931: trace = 2.393039445383455 (2.73568e-09% change)
- linmin: converged after 7 iterations.
- iteration 1932: trace = 2.393039445265108 (4.94545e-09% change)
- linmin: converged after 4 iterations.
- iteration 1933: trace = 2.393039445204703 (2.5242e-09% change)
- large trace change predicted (6.85489e-09%)
- linmin: converged after 4 iterations.
- iteration 1934: trace = 2.393039445040955 (6.84268e-09% change)
- linmin: converged after 9 iterations.
- iteration 1935: trace = 2.393039444780994 (1.08632e-08% change)
- linmin: converged after 15 iterations.
- iteration 1936: trace = 2.393039444628465 (6.37388e-09% change)
- large trace change predicted (2.51985e-08%)
- linmin: converged after 9 iterations.
- iteration 1937: trace = 2.39303944402551 (2.51962e-08% change)
- linmin: converged after 3 iterations.
- iteration 1938: trace = 2.393039443912818 (4.70914e-09% change)
- large trace change predicted (1.27572e-08%)
- linmin: converged after 3 iterations.
- iteration 1939: trace = 2.393039443607804 (1.27459e-08% change)
- linmin: converged after 9 iterations.
- iteration 1940: trace = 2.393039443377261 (9.63387e-09% change)
- linmin: converged after 4 iterations.
- iteration 1941: trace = 2.393039443293673 (3.49299e-09% change)
- large trace change predicted (9.05967e-09%)
- linmin: converged after 4 iterations.
- iteration 1942: trace = 2.39303944307701 (9.05387e-09% change)
- linmin: converged after 12 iterations.
- iteration 1943: trace = 2.393039443036209 (1.70499e-09% change)
- large trace change predicted (3.51877e-09%)
- linmin: converged after 6 iterations.
- iteration 1944: trace = 2.393039442951618 (3.53486e-09% change)
- linmin: converged after 4 iterations.
- iteration 1945: trace = 2.39303944288621 (2.73327e-09% change)
- linmin: converged after 3 iterations.
- iteration 1946: trace = 2.393039442848446 (1.57808e-09% change)
- large trace change predicted (4.29332e-09%)
- linmin: converged after 4 iterations.
- iteration 1947: trace = 2.393039442745376 (4.30707e-09% change)
- linmin: converged after 12 iterations.
- iteration 1948: trace = 2.393039442693334 (2.17472e-09% change)
- linmin: converged after 3 iterations.
- iteration 1949: trace = 2.393039442620927 (3.02573e-09% change)
- linmin: converged after 9 iterations.
- iteration 1950: trace = 2.393039442476341 (6.04194e-09% change)
- linmin: converged after 9 iterations.
- iteration 1951: trace = 2.393039442436673 (1.65763e-09% change)
- large trace change predicted (4.87469e-09%)
- linmin: converged after 4 iterations.
- iteration 1952: trace = 2.393039442320204 (4.86701e-09% change)
- linmin: converged after 4 iterations.
- iteration 1953: trace = 2.393039442258929 (2.56055e-09% change)
- large trace change predicted (6.13875e-09%)
- linmin: converged after 3 iterations.
- iteration 1954: trace = 2.393039442112094 (6.1359e-09% change)
- linmin: converged after 4 iterations.
- iteration 1955: trace = 2.393039441868849 (1.01647e-08% change)
- linmin: converged after 12 iterations.
- iteration 1956: trace = 2.393039441709076 (6.67659e-09% change)
- large trace change predicted (3.27133e-08%)
- linmin: converged after 3 iterations.
- iteration 1957: trace = 2.393039440926726 (3.26927e-08% change)
- linmin: converged after 18 iterations.
- iteration 1958: trace = 2.393039440677581 (1.04112e-08% change)
- large trace change predicted (7.17879e-08%)
- linmin: converged after 5 iterations.
- iteration 1959: trace = 2.39303943895953 (7.17937e-08% change)
- resetting CG direction...
- linmin: converged after 14 iterations.
- iteration 1960: trace = 2.393039438323334 (2.65853e-08% change)
- linmin: converged after 4 iterations.
- iteration 1961: trace = 2.393039437789052 (2.23265e-08% change)
- linmin: converged after 3 iterations.
- iteration 1962: trace = 2.39303943725397 (2.23599e-08% change)
- linmin: converged after 7 iterations.
- iteration 1963: trace = 2.393039437131799 (5.10527e-09% change)
- large trace change predicted (1.04084e-08%)
- linmin: converged after 3 iterations.
- iteration 1964: trace = 2.39303943688254 (1.0416e-08% change)
- linmin: converged after 3 iterations.
- iteration 1965: trace = 2.393039436760738 (5.08987e-09% change)
- linmin: converged after 6 iterations.
- iteration 1966: trace = 2.393039436709493 (2.14139e-09% change)
- linmin: converged after 4 iterations.
- iteration 1967: trace = 2.393039436637749 (2.99803e-09% change)
- linmin: converged after 5 iterations.
- iteration 1968: trace = 2.393039436599232 (1.60955e-09% change)
- linmin: converged after 4 iterations.
- iteration 1969: trace = 2.393039436576352 (9.56103e-10% change)
- large trace change predicted (2.35154e-09%)
- linmin: converged after 4 iterations.
- iteration 1970: trace = 2.393039436520354 (2.34003e-09% change)
- linmin: converged after 3 iterations.
- iteration 1971: trace = 2.393039436492496 (1.16413e-09% change)
- linmin: converged after 3 iterations.
- iteration 1972: trace = 2.393039436457791 (1.45027e-09% change)
- linmin: converged after 4 iterations.
- iteration 1973: trace = 2.393039436417563 (1.68102e-09% change)
- linmin: converged after 4 iterations.
- iteration 1974: trace = 2.393039436403412 (5.91373e-10% change)
- large trace change predicted (1.25697e-09%)
- linmin: converged after 3 iterations.
- iteration 1975: trace = 2.393039436373034 (1.26941e-09% change)
- linmin: converged after 3 iterations.
- iteration 1976: trace = 2.393039436328327 (1.86821e-09% change)
- linmin: converged after 3 iterations.
- iteration 1977: trace = 2.393039436305597 (9.4983e-10% change)
- large trace change predicted (3.66733e-09%)
- linmin: converged after 4 iterations.
- iteration 1978: trace = 2.393039436217674 (3.67413e-09% change)
- linmin: converged after 3 iterations.
- iteration 1979: trace = 2.393039436189774 (1.16586e-09% change)
- large trace change predicted (5.08872e-09%)
- linmin: converged after 4 iterations.
- iteration 1980: trace = 2.393039436067618 (5.10464e-09% change)
- linmin: converged after 9 iterations.
- iteration 1981: trace = 2.393039435981243 (3.60946e-09% change)
- linmin: converged after 13 iterations.
- iteration 1982: trace = 2.393039435894592 (3.62095e-09% change)
- large trace change predicted (7.30211e-09%)
- linmin: converged after 3 iterations.
- iteration 1983: trace = 2.393039435719951 (7.29788e-09% change)
- linmin: converged after 4 iterations.
- iteration 1984: trace = 2.393039435671572 (2.02166e-09% change)
- linmin: converged after 8 iterations.
- iteration 1985: trace = 2.393039435594718 (3.21153e-09% change)
- linmin: converged after 4 iterations.
- iteration 1986: trace = 2.393039435549982 (1.86945e-09% change)
- linmin: converged after 3 iterations.
- iteration 1987: trace = 2.393039435537185 (5.34754e-10% change)
- large trace change predicted (1.21466e-09%)
- linmin: converged after 4 iterations.
- iteration 1988: trace = 2.393039435508208 (1.2109e-09% change)
- linmin: converged after 4 iterations.
- iteration 1989: trace = 2.393039435492325 (6.63692e-10% change)
- linmin: converged after 5 iterations.
- iteration 1990: trace = 2.393039435475317 (7.10754e-10% change)
- large trace change predicted (2.0028e-09%)
- linmin: converged after 4 iterations.
- iteration 1991: trace = 2.393039435427377 (2.0033e-09% change)
- linmin: converged after 6 iterations.
- iteration 1992: trace = 2.393039435409912 (7.29831e-10% change)
- large trace change predicted (2.97063e-09%)
- linmin: converged after 4 iterations.
- iteration 1993: trace = 2.393039435338368 (2.98964e-09% change)
- linmin: converged after 4 iterations.
- iteration 1994: trace = 2.393039435310971 (1.14489e-09% change)
- linmin: converged after 4 iterations.
- iteration 1995: trace = 2.393039435265988 (1.87975e-09% change)
- linmin: converged after 3 iterations.
- iteration 1996: trace = 2.393039435217393 (2.03066e-09% change)
- linmin: converged after 4 iterations.
- iteration 1997: trace = 2.39303943519499 (9.36191e-10% change)
- large trace change predicted (3.3027e-09%)
- linmin: converged after 6 iterations.
- iteration 1998: trace = 2.393039435115994 (3.30105e-09% change)
- linmin: converged after 7 iterations.
- iteration 1999: trace = 2.393039435074365 (1.7396e-09% change)
- large trace change predicted (6.16853e-09%)
- linmin: converged after 6 iterations.
- iteration 2000: trace = 2.393039434926903 (6.16212e-09% change)
- linmin: converged after 4 iterations.
- iteration 2001: trace = 2.393039434880057 (1.9576e-09% change)
- linmin: converged after 4 iterations.
- iteration 2002: trace = 2.393039434814421 (2.74279e-09% change)
- linmin: converged after 4 iterations.
- iteration 2003: trace = 2.393039434763783 (2.11604e-09% change)
- linmin: converged after 4 iterations.
- iteration 2004: trace = 2.393039434744991 (7.85299e-10% change)
- large trace change predicted (1.63782e-09%)
- linmin: converged after 3 iterations.
- iteration 2005: trace = 2.393039434705584 (1.64672e-09% change)
- linmin: converged after 4 iterations.
- iteration 2006: trace = 2.393039434699242 (2.65002e-10% change)
- large trace change predicted (8.61629e-10%)
- linmin: converged after 3 iterations.
- iteration 2007: trace = 2.393039434679038 (8.44294e-10% change)
- linmin: converged after 4 iterations.
- iteration 2008: trace = 2.393039434675229 (1.59168e-10% change)
- large trace change predicted (5.14992e-10%)
- linmin: converged after 3 iterations.
- iteration 2009: trace = 2.393039434662688 (5.24046e-10% change)
- linmin: converged after 4 iterations.
- iteration 2010: trace = 2.393039434647076 (6.52427e-10% change)
- linmin: converged after 3 iterations.
- iteration 2011: trace = 2.393039434637269 (4.09788e-10% change)
- large trace change predicted (1.36503e-09%)
- linmin: converged after 3 iterations.
- iteration 2012: trace = 2.393039434604628 (1.364e-09% change)
- linmin: converged after 5 iterations.
- iteration 2013: trace = 2.393039434595156 (3.95814e-10% change)
- large trace change predicted (1.88283e-09%)
- linmin: converged after 3 iterations.
- iteration 2014: trace = 2.393039434550104 (1.88263e-09% change)
- linmin: converged after 5 iterations.
- iteration 2015: trace = 2.393039434523842 (1.09746e-09% change)
- linmin: converged after 6 iterations.
- iteration 2016: trace = 2.393039434486109 (1.57676e-09% change)
- linmin: converged after 3 iterations.
- iteration 2017: trace = 2.3930394344467 (1.64681e-09% change)
- linmin: converged after 9 iterations.
- iteration 2018: trace = 2.393039434423467 (9.70875e-10% change)
- linmin: converged after 4 iterations.
- iteration 2019: trace = 2.393039434378958 (1.85991e-09% change)
- linmin: converged after 5 iterations.
- iteration 2020: trace = 2.393039434370328 (3.60647e-10% change)
- large trace change predicted (1.14174e-09%)
- linmin: converged after 3 iterations.
- iteration 2021: trace = 2.393039434343038 (1.1404e-09% change)
- linmin: converged after 5 iterations.
- iteration 2022: trace = 2.393039434333263 (4.08451e-10% change)
- large trace change predicted (1.11508e-09%)
- linmin: converged after 4 iterations.
- iteration 2023: trace = 2.393039434306579 (1.1151e-09% change)
- linmin: converged after 3 iterations.
- iteration 2024: trace = 2.393039434291962 (6.10803e-10% change)
- linmin: converged after 3 iterations.
- iteration 2025: trace = 2.393039434276927 (6.28284e-10% change)
- linmin: converged after 4 iterations.
- iteration 2026: trace = 2.393039434252486 (1.02133e-09% change)
- linmin: converged after 3 iterations.
- iteration 2027: trace = 2.393039434245335 (2.98813e-10% change)
- large trace change predicted (6.67383e-10%)
- linmin: converged after 5 iterations.
- iteration 2028: trace = 2.393039434230231 (6.3116e-10% change)
- linmin: converged after 3 iterations.
- iteration 2029: trace = 2.393039434227043 (1.33225e-10% change)
- resetting CG direction...
- linmin: converged after 7 iterations.
- iteration 2030: trace = 2.393039434225272 (7.40075e-11% change)
-Finished solving for bands 2 to 10 after 2030 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016
-elapsed time for k point: 15.229743957519531
-solve_kpoint (0.166667,0,0):
-Solving for bands 1 to 10...
- linmin: converged after 5 iterations.
- iteration 1: trace = 2.472606412328673 (8.48024% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 2.453425735718083 (0.778748% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 2.442844414785593 (0.43222% change)
- linmin: converged after 7 iterations.
- iteration 4: trace = 2.431161847827217 (0.479383% change)
- linmin: converged after 7 iterations.
- iteration 5: trace = 2.426060280234586 (0.210061% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.423173498768208 (0.119061% change)
- linmin: converged after 11 iterations.
- iteration 7: trace = 2.421004983712137 (0.0895308% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.419230595188513 (0.0733183% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 2.418879976299798 (0.014494% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.418217818337571 (0.0273783% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.417916624344721 (0.012456% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.417553425304854 (0.0150223% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.417324401496046 (0.00947382% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 2.417053485842457 (0.0112079% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 2.416983346628101 (0.00290189% change)
- large trace change predicted (0.00610734%)
- linmin: converged after 3 iterations.
- iteration 16: trace = 2.416834145661213 (0.00617321% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 2.416789900407536 (0.00183073% change)
- large trace change predicted (0.00505463%)
- linmin: converged after 3 iterations.
- iteration 18: trace = 2.416666953862918 (0.00508731% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 2.416616686541779 (0.00208005% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 2.416550546368013 (0.00273693% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 2.416470730039696 (0.00330296% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 2.4163914643744 (0.00328028% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 2.416340839231842 (0.00209509% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 2.416269506309811 (0.00295215% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 2.416222969393447 (0.001926% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 2.416194250937182 (0.00118858% change)
- large trace change predicted (0.0053049%)
- linmin: converged after 4 iterations.
- iteration 27: trace = 2.416065964814718 (0.00530957% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 2.416019766014298 (0.00191217% change)
- large trace change predicted (0.00450154%)
- linmin: converged after 4 iterations.
- iteration 29: trace = 2.415911184348753 (0.00449434% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 2.415826339470812 (0.00351198% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 2.41570604851085 (0.00497941% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 2.415628012647992 (0.00323041% change)
- large trace change predicted (0.0107003%)
- linmin: converged after 4 iterations.
- iteration 33: trace = 2.41537053690965 (0.0106593% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 2.415301753630072 (0.00284777% change)
- large trace change predicted (0.00887828%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 2.415087793103613 (0.00885893% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 2.414996316466689 (0.00378779% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 2.414847805921248 (0.0061497% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 2.414719199013656 (0.00532582% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 2.414561302620633 (0.00653913% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 2.41448413781134 (0.00319586% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 2.414383115285119 (0.00418411% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 2.414348691663321 (0.00142578% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 2.414292775582494 (0.00231602% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 2.414262873465236 (0.00123855% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 2.414243309095757 (0.000810369% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 2.414222004518059 (0.000882458% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 2.41418937622007 (0.00135151% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 2.414175482017809 (0.000575524% change)
- large trace change predicted (0.00151722%)
- linmin: converged after 4 iterations.
- iteration 49: trace = 2.414139167146496 (0.00150425% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 2.414108647997533 (0.00126419% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 2.414084470600241 (0.00100151% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 2.414052008701353 (0.0013447% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 2.414006568578595 (0.00188234% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 2.413987583024687 (0.000786478% change)
- large trace change predicted (0.00171875%)
- linmin: converged after 4 iterations.
- iteration 55: trace = 2.41394637849652 (0.00170692% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 2.413918643338453 (0.00114896% change)
- linmin: converged after 6 iterations.
- iteration 57: trace = 2.413893202859717 (0.00105391% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 2.413859265637633 (0.00140592% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 2.413820630728176 (0.00160056% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 2.413793739214342 (0.00111407% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 2.413747575773504 (0.0019125% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 2.413717656691289 (0.00123954% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 2.413670794739782 (0.0019415% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 2.413608498811451 (0.002581% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 2.413550379958808 (0.00240799% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 2.413476905206978 (0.00304431% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 2.413393469715005 (0.00345713% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 2.413361590307507 (0.00132095% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 2.413309245029383 (0.002169% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 2.413292472384753 (0.000695008% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 2.413275763337027 (0.000692378% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 2.413247325367773 (0.0011784% change)
- linmin: converged after 5 iterations.
- iteration 73: trace = 2.41324098838247 (0.000262592% change)
- large trace change predicted (0.000686831%)
- linmin: converged after 3 iterations.
- iteration 74: trace = 2.413224390611433 (0.000687782% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 2.41321933697967 (0.000209414% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 2.413214508918284 (0.000200067% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 2.413206859948187 (0.000316962% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 2.413202709301081 (0.000171997% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 2.413195544942863 (0.000296882% change)
- large trace change predicted (0.000675767%)
- linmin: converged after 3 iterations.
- iteration 80: trace = 2.41317915913854 (0.000679011% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 2.413174521984215 (0.00019216% change)
- large trace change predicted (0.000670808%)
- linmin: converged after 3 iterations.
- iteration 82: trace = 2.413158321175334 (0.000671351% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 2.41313739852315 (0.000867027% change)
- linmin: converged after 6 iterations.
- iteration 84: trace = 2.413132084170826 (0.000220226% change)
- large trace change predicted (0.00137291%)
- linmin: converged after 4 iterations.
- iteration 85: trace = 2.413098630000145 (0.00138635% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 2.413088275807562 (0.000429084% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 2.413070019022158 (0.000756576% change)
- linmin: converged after 4 iterations.
- iteration 88: trace = 2.413059140351948 (0.000450824% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 2.413054828335151 (0.000178695% change)
- large trace change predicted (0.00037838%)
- linmin: converged after 3 iterations.
- iteration 90: trace = 2.413045686743834 (0.00037884% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 2.413029389278951 (0.000675392% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 2.413026337297859 (0.000126479% change)
- large trace change predicted (0.000680895%)
- linmin: converged after 4 iterations.
- iteration 93: trace = 2.413009863321784 (0.000682712% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 2.413004958688768 (0.000203258% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 2.413001010574182 (0.000163618% change)
- large trace change predicted (0.000575145%)
- linmin: converged after 3 iterations.
- iteration 96: trace = 2.41298711078796 (0.000576039% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 2.412981993123678 (0.000212089% change)
- linmin: converged after 26 iterations.
- iteration 98: trace = 2.412974960504182 (0.00029145% change)
- linmin: converged after 3 iterations.
- iteration 99: trace = 2.412971660124212 (0.000136776% change)
- linmin: converged after 5 iterations.
- iteration 100: trace = 2.412969726949497 (8.0116e-05% change)
- large trace change predicted (0.000185959%)
- linmin: converged after 4 iterations.
- iteration 101: trace = 2.412965239514389 (0.000185972% change)
- linmin: converged after 4 iterations.
- iteration 102: trace = 2.41295785452651 (0.000306055% change)
- linmin: converged after 3 iterations.
- iteration 103: trace = 2.412955647658458 (9.14591e-05% change)
- large trace change predicted (0.000451444%)
- linmin: converged after 4 iterations.
- iteration 104: trace = 2.412944804472996 (0.000449375% change)
- linmin: converged after 3 iterations.
- iteration 105: trace = 2.412939591976892 (0.000216022% change)
- large trace change predicted (0.000436704%)
- linmin: converged after 6 iterations.
- iteration 106: trace = 2.412929087882519 (0.000435325% change)
- linmin: converged after 5 iterations.
- iteration 107: trace = 2.412912388879401 (0.000692066% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 2.412882739501967 (0.00122879% change)
- linmin: converged after 4 iterations.
- iteration 109: trace = 2.412866277569273 (0.000682254% change)
- large trace change predicted (0.00140455%)
- linmin: converged after 4 iterations.
- iteration 110: trace = 2.412832877672352 (0.00138425% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 2.412826963363769 (0.000245119% change)
- linmin: converged after 6 iterations.
- iteration 112: trace = 2.412818882217 (0.000334925% change)
- linmin: converged after 4 iterations.
- iteration 113: trace = 2.412807741114174 (0.000461747% change)
- linmin: converged after 11 iterations.
- iteration 114: trace = 2.412803765774664 (0.00016476% change)
- linmin: converged after 7 iterations.
- iteration 115: trace = 2.412797334010174 (0.000266568% change)
- linmin: converged after 5 iterations.
- iteration 116: trace = 2.412796055157039 (5.30029e-05% change)
- large trace change predicted (0.000176584%)
- linmin: converged after 4 iterations.
- iteration 117: trace = 2.412791794264836 (0.000176596% change)
- linmin: converged after 20 iterations.
- iteration 118: trace = 2.412788959820339 (0.000117476% change)
- linmin: converged after 3 iterations.
- iteration 119: trace = 2.412787814829273 (4.74551e-05% change)
- large trace change predicted (0.000215307%)
- linmin: converged after 4 iterations.
- iteration 120: trace = 2.412782625139613 (0.000215091% change)
- linmin: converged after 8 iterations.
- iteration 121: trace = 2.412781615544021 (4.18436e-05% change)
- large trace change predicted (0.000159471%)
- linmin: converged after 8 iterations.
- iteration 122: trace = 2.412777772563147 (0.000159276% change)
- linmin: converged after 4 iterations.
- iteration 123: trace = 2.412776290475923 (6.14266e-05% change)
- linmin: converged after 4 iterations.
- iteration 124: trace = 2.412774825733703 (6.07078e-05% change)
- linmin: converged after 3 iterations.
- iteration 125: trace = 2.412773093628529 (7.1789e-05% change)
- linmin: converged after 3 iterations.
- iteration 126: trace = 2.412772033403266 (4.39422e-05% change)
- large trace change predicted (0.000143911%)
- linmin: converged after 3 iterations.
- iteration 127: trace = 2.412768561234267 (0.000143908% change)
- linmin: converged after 3 iterations.
- iteration 128: trace = 2.412764332147253 (0.00017528% change)
- linmin: converged after 3 iterations.
- iteration 129: trace = 2.412762702402286 (6.75468e-05% change)
- large trace change predicted (0.000227105%)
- linmin: converged after 4 iterations.
- iteration 130: trace = 2.412757229053292 (0.00022685% change)
- linmin: converged after 3 iterations.
- iteration 131: trace = 2.412750308384217 (0.000286837% change)
- linmin: converged after 3 iterations.
- iteration 132: trace = 2.412744971597525 (0.000221191% change)
- large trace change predicted (0.000507211%)
- linmin: converged after 3 iterations.
- iteration 133: trace = 2.412732718407164 (0.000507854% change)
- linmin: converged after 7 iterations.
- iteration 134: trace = 2.412730962367456 (7.27822e-05% change)
- large trace change predicted (0.000324296%)
- linmin: converged after 3 iterations.
- iteration 135: trace = 2.412723129047391 (0.000324667% change)
- linmin: converged after 5 iterations.
- iteration 136: trace = 2.412721617793547 (6.26369e-05% change)
- linmin: converged after 3 iterations.
- iteration 137: trace = 2.412719162213405 (0.000101776% change)
- linmin: converged after 7 iterations.
- iteration 138: trace = 2.412714760983797 (0.000182418% change)
- linmin: converged after 4 iterations.
- iteration 139: trace = 2.412714244683772 (2.13991e-05% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 140: trace = 2.412713795110151 (1.86335e-05% change)
- large trace change predicted (6.16566e-05%)
- linmin: converged after 3 iterations.
- iteration 141: trace = 2.412712306913474 (6.16815e-05% change)
- linmin: converged after 4 iterations.
- iteration 142: trace = 2.412711752129087 (2.29942e-05% change)
- linmin: converged after 5 iterations.
- iteration 143: trace = 2.412711433445376 (1.32085e-05% change)
- large trace change predicted (3.65531e-05%)
- linmin: converged after 3 iterations.
- iteration 144: trace = 2.412710551332244 (3.65611e-05% change)
- linmin: converged after 3 iterations.
- iteration 145: trace = 2.412710001332495 (2.27959e-05% change)
- linmin: converged after 3 iterations.
- iteration 146: trace = 2.412709339104619 (2.74475e-05% change)
- linmin: converged after 7 iterations.
- iteration 147: trace = 2.412708015349657 (5.48659e-05% change)
- linmin: converged after 3 iterations.
- iteration 148: trace = 2.412707735069079 (1.16168e-05% change)
- large trace change predicted (2.46166e-05%)
- linmin: converged after 5 iterations.
- iteration 149: trace = 2.412707141025387 (2.46215e-05% change)
- linmin: converged after 3 iterations.
- iteration 150: trace = 2.41270611433174 (4.25536e-05% change)
- linmin: converged after 3 iterations.
- iteration 151: trace = 2.41270579969158 (1.3041e-05% change)
- large trace change predicted (4.39304e-05%)
- linmin: converged after 4 iterations.
- iteration 152: trace = 2.412704738726644 (4.39741e-05% change)
- linmin: converged after 3 iterations.
- iteration 153: trace = 2.41270404498078 (2.87539e-05% change)
- linmin: converged after 4 iterations.
- iteration 154: trace = 2.412703578379837 (1.93393e-05% change)
- large trace change predicted (3.8684e-05%)
- linmin: converged after 3 iterations.
- iteration 155: trace = 2.41270264429435 (3.87153e-05% change)
- linmin: converged after 4 iterations.
- iteration 156: trace = 2.41270138016885 (5.23946e-05% change)
- linmin: converged after 3 iterations.
- iteration 157: trace = 2.412700869011127 (2.11861e-05% change)
- large trace change predicted (5.77342e-05%)
- linmin: converged after 4 iterations.
- iteration 158: trace = 2.412699474008117 (5.78192e-05% change)
- linmin: converged after 5 iterations.
- iteration 159: trace = 2.412698218657573 (5.2031e-05% change)
- linmin: converged after 4 iterations.
- iteration 160: trace = 2.412697424328969 (3.29228e-05% change)
- linmin: converged after 3 iterations.
- iteration 161: trace = 2.412696294218674 (4.68401e-05% change)
- linmin: converged after 4 iterations.
- iteration 162: trace = 2.412695413377431 (3.65086e-05% change)
- linmin: converged after 20 iterations.
- iteration 163: trace = 2.41269430997101 (4.57334e-05% change)
- linmin: converged after 3 iterations.
- iteration 164: trace = 2.412693077402853 (5.10868e-05% change)
- linmin: converged after 3 iterations.
- iteration 165: trace = 2.41269287994695 (8.18405e-06% change)
- linmin: converged after 3 iterations.
- iteration 166: trace = 2.412692605808744 (1.13623e-05% change)
- linmin: converged after 3 iterations.
- iteration 167: trace = 2.412692078182679 (2.18688e-05% change)
- linmin: converged after 3 iterations.
- iteration 168: trace = 2.412691978234893 (4.14258e-06% change)
- large trace change predicted (1.25531e-05%)
- linmin: converged after 4 iterations.
- iteration 169: trace = 2.412691675191595 (1.25604e-05% change)
- linmin: converged after 5 iterations.
- iteration 170: trace = 2.412691532278725 (5.92338e-06% change)
- linmin: converged after 5 iterations.
- iteration 171: trace = 2.412691333718024 (8.22984e-06% change)
- linmin: converged after 3 iterations.
- iteration 172: trace = 2.412691071224445 (1.08797e-05% change)
- linmin: converged after 4 iterations.
- iteration 173: trace = 2.412690867505331 (8.44365e-06% change)
- large trace change predicted (1.92698e-05%)
- linmin: converged after 3 iterations.
- iteration 174: trace = 2.412690402508315 (1.9273e-05% change)
- linmin: converged after 3 iterations.
- iteration 175: trace = 2.412689494445571 (3.76369e-05% change)
- linmin: converged after 4 iterations.
- iteration 176: trace = 2.412689267131884 (9.42159e-06% change)
- large trace change predicted (2.9348e-05%)
- linmin: converged after 3 iterations.
- iteration 177: trace = 2.412688558739286 (2.93611e-05% change)
- linmin: converged after 3 iterations.
- iteration 178: trace = 2.412688132027417 (1.76862e-05% change)
- linmin: converged after 4 iterations.
- iteration 179: trace = 2.412687768142828 (1.50821e-05% change)
- large trace change predicted (6.13005e-05%)
- linmin: converged after 5 iterations.
- iteration 180: trace = 2.412686288078712 (6.13451e-05% change)
- linmin: converged after 4 iterations.
- iteration 181: trace = 2.412685924160847 (1.50835e-05% change)
- large trace change predicted (4.49615e-05%)
- linmin: converged after 3 iterations.
- iteration 182: trace = 2.412684838840223 (4.49839e-05% change)
- linmin: converged after 3 iterations.
- iteration 183: trace = 2.412683964333555 (3.62462e-05% change)
- linmin: converged after 3 iterations.
- iteration 184: trace = 2.412683634762118 (1.366e-05% change)
- large trace change predicted (2.85959e-05%)
- linmin: converged after 3 iterations.
- iteration 185: trace = 2.412682944177038 (2.86231e-05% change)
- linmin: converged after 21 iterations.
- iteration 186: trace = 2.412682252171017 (2.8682e-05% change)
- linmin: converged after 5 iterations.
- iteration 187: trace = 2.412682009678486 (1.00507e-05% change)
- large trace change predicted (2.73274e-05%)
- linmin: converged after 4 iterations.
- iteration 188: trace = 2.412681350332888 (2.73283e-05% change)
- linmin: converged after 3 iterations.
- iteration 189: trace = 2.412681262096474 (3.65719e-06% change)
- linmin: converged after 3 iterations.
- iteration 190: trace = 2.412681134826438 (5.27505e-06% change)
- large trace change predicted (1.11392e-05%)
- linmin: converged after 5 iterations.
- iteration 191: trace = 2.412680866043328 (1.11404e-05% change)
- linmin: converged after 3 iterations.
- iteration 192: trace = 2.4126808264136 (1.64256e-06% change)
- large trace change predicted (1.20563e-05%)
- linmin: converged after 7 iterations.
- iteration 193: trace = 2.41268053555182 (1.20555e-05% change)
- linmin: converged after 3 iterations.
- iteration 194: trace = 2.412680402474456 (5.51575e-06% change)
- linmin: converged after 3 iterations.
- iteration 195: trace = 2.412680287998102 (4.74478e-06% change)
- large trace change predicted (1.8074e-05%)
- linmin: converged after 4 iterations.
- iteration 196: trace = 2.412679852029748 (1.80699e-05% change)
- linmin: converged after 3 iterations.
- iteration 197: trace = 2.412679516370597 (1.39123e-05% change)
- linmin: converged after 3 iterations.
- iteration 198: trace = 2.412679155864843 (1.49421e-05% change)
- large trace change predicted (6.2203e-05%)
- linmin: converged after 4 iterations.
- iteration 199: trace = 2.412677654625708 (6.22229e-05% change)
- linmin: converged after 5 iterations.
- iteration 200: trace = 2.412677374183402 (1.16237e-05% change)
- large trace change predicted (5.1361e-05%)
- linmin: converged after 5 iterations.
- iteration 201: trace = 2.412676134604486 (5.13777e-05% change)
- linmin: converged after 3 iterations.
- iteration 202: trace = 2.412675245015786 (3.68715e-05% change)
- linmin: converged after 3 iterations.
- iteration 203: trace = 2.412674862142604 (1.58692e-05% change)
- large trace change predicted (5.06774e-05%)
- linmin: converged after 4 iterations.
- iteration 204: trace = 2.41267363934473 (5.06823e-05% change)
- linmin: converged after 3 iterations.
- iteration 205: trace = 2.412673242942164 (1.643e-05% change)
- linmin: converged after 5 iterations.
- iteration 206: trace = 2.412672626171718 (2.55638e-05% change)
- linmin: converged after 4 iterations.
- iteration 207: trace = 2.412672131228316 (2.05143e-05% change)
- linmin: converged after 4 iterations.
- iteration 208: trace = 2.412671827786987 (1.2577e-05% change)
- large trace change predicted (3.40714e-05%)
- linmin: converged after 4 iterations.
- iteration 209: trace = 2.412671005801497 (3.40695e-05% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 210: trace = 2.412670641830589 (1.50858e-05% change)
- linmin: converged after 5 iterations.
- iteration 211: trace = 2.412670529000208 (4.67658e-06% change)
- large trace change predicted (1.04561e-05%)
- linmin: converged after 4 iterations.
- iteration 212: trace = 2.412670276853772 (1.04509e-05% change)
- linmin: converged after 5 iterations.
- iteration 213: trace = 2.41267005892408 (9.03272e-06% change)
- linmin: converged after 4 iterations.
- iteration 214: trace = 2.412669942685584 (4.81784e-06% change)
- large trace change predicted (1.67786e-05%)
- linmin: converged after 3 iterations.
- iteration 215: trace = 2.412669537939716 (1.67759e-05% change)
- linmin: converged after 3 iterations.
- iteration 216: trace = 2.41266945347015 (3.50108e-06% change)
- large trace change predicted (9.85233e-06%)
- linmin: converged after 4 iterations.
- iteration 217: trace = 2.412669215731066 (9.85378e-06% change)
- linmin: converged after 3 iterations.
- iteration 218: trace = 2.412668921994908 (1.21747e-05% change)
- linmin: converged after 3 iterations.
- iteration 219: trace = 2.41266883811821 (3.47651e-06% change)
- large trace change predicted (1.30474e-05%)
- linmin: converged after 4 iterations.
- iteration 220: trace = 2.412668523337981 (1.3047e-05% change)
- linmin: converged after 3 iterations.
- iteration 221: trace = 2.412668223683091 (1.24201e-05% change)
- linmin: converged after 4 iterations.
- iteration 222: trace = 2.412668113445152 (4.56913e-06% change)
- large trace change predicted (9.19443e-06%)
- linmin: converged after 3 iterations.
- iteration 223: trace = 2.412667891553012 (9.19696e-06% change)
- linmin: converged after 5 iterations.
- iteration 224: trace = 2.412667580826945 (1.28789e-05% change)
- linmin: converged after 3 iterations.
- iteration 225: trace = 2.412667426254225 (6.40671e-06% change)
- large trace change predicted (1.78686e-05%)
- linmin: converged after 3 iterations.
- iteration 226: trace = 2.412666995135434 (1.7869e-05% change)
- linmin: converged after 3 iterations.
- iteration 227: trace = 2.412666802715315 (7.97541e-06% change)
- linmin: converged after 3 iterations.
- iteration 228: trace = 2.412666435404577 (1.52243e-05% change)
- linmin: converged after 4 iterations.
- iteration 229: trace = 2.412666130700489 (1.26294e-05% change)
- linmin: converged after 4 iterations.
- iteration 230: trace = 2.412665877110246 (1.05108e-05% change)
- linmin: converged after 3 iterations.
- iteration 231: trace = 2.412665382099508 (2.05172e-05% change)
- linmin: converged after 3 iterations.
- iteration 232: trace = 2.412664783984475 (2.47906e-05% change)
- linmin: converged after 14 iterations.
- iteration 233: trace = 2.412664682683589 (4.19871e-06% change)
- linmin: converged after 3 iterations.
- iteration 234: trace = 2.412664481852494 (8.32404e-06% change)
- linmin: converged after 8 iterations.
- iteration 235: trace = 2.412664315383743 (6.89979e-06% change)
- linmin: converged after 2 iterations.
- iteration 236: trace = 2.412664250177639 (2.70266e-06% change)
- linmin: converged after 3 iterations.
- iteration 237: trace = 2.412664169659182 (3.33733e-06% change)
- linmin: converged after 4 iterations.
- iteration 238: trace = 2.412664021244686 (6.15148e-06% change)
- linmin: converged after 3 iterations.
- iteration 239: trace = 2.412664001473559 (8.19473e-07% change)
- large trace change predicted (4.28054e-06%)
- linmin: converged after 28 iterations.
- iteration 240: trace = 2.412663898202072 (4.28039e-06% change)
- linmin: converged after 3 iterations.
- iteration 241: trace = 2.412663783452443 (4.75614e-06% change)
- linmin: converged after 3 iterations.
- iteration 242: trace = 2.412663731581536 (2.14994e-06% change)
- large trace change predicted (1.03009e-05%)
- linmin: converged after 5 iterations.
- iteration 243: trace = 2.412663483257846 (1.02925e-05% change)
- linmin: converged after 4 iterations.
- iteration 244: trace = 2.412663197127385 (1.18595e-05% change)
- linmin: converged after 5 iterations.
- iteration 245: trace = 2.412662979195149 (9.03285e-06% change)
- linmin: converged after 5 iterations.
- iteration 246: trace = 2.412662720448691 (1.07245e-05% change)
- linmin: converged after 11 iterations.
- iteration 247: trace = 2.412662475665402 (1.01458e-05% change)
- linmin: converged after 5 iterations.
- iteration 248: trace = 2.412662231499839 (1.01202e-05% change)
- linmin: converged after 8 iterations.
- iteration 249: trace = 2.412661778846366 (1.87616e-05% change)
- linmin: converged after 4 iterations.
- iteration 250: trace = 2.412661646529992 (5.48425e-06% change)
- large trace change predicted (2.29079e-05%)
- linmin: converged after 6 iterations.
- iteration 251: trace = 2.412661094551263 (2.28784e-05% change)
- linmin: converged after 4 iterations.
- iteration 252: trace = 2.41266045540582 (2.64913e-05% change)
- linmin: converged after 4 iterations.
- iteration 253: trace = 2.412660330834369 (5.16324e-06% change)
- linmin: converged after 5 iterations.
- iteration 254: trace = 2.412660088017616 (1.00643e-05% change)
- linmin: converged after 3 iterations.
- iteration 255: trace = 2.412659753374383 (1.38703e-05% change)
- linmin: converged after 3 iterations.
- iteration 256: trace = 2.412659689278247 (2.65666e-06% change)
- large trace change predicted (1.06085e-05%)
- linmin: converged after 5 iterations.
- iteration 257: trace = 2.412659433394985 (1.06059e-05% change)
- linmin: converged after 3 iterations.
- iteration 258: trace = 2.41265939819889 (1.45881e-06% change)
- large trace change predicted (3.25859e-06%)
- linmin: converged after 2 iterations.
- iteration 259: trace = 2.412659319569637 (3.25903e-06% change)
- linmin: converged after 3 iterations.
- iteration 260: trace = 2.412659193138797 (5.24031e-06% change)
- linmin: converged after 4 iterations.
- iteration 261: trace = 2.412659148262438 (1.86004e-06% change)
- large trace change predicted (4.57325e-06%)
- linmin: converged after 3 iterations.
- iteration 262: trace = 2.412659037928812 (4.57311e-06% change)
- large trace change predicted (9.99942e-06%)
- linmin: converged after 3 iterations.
- iteration 263: trace = 2.412658796722827 (9.99752e-06% change)
- linmin: converged after 2 iterations.
- iteration 264: trace = 2.412658738736654 (2.40341e-06% change)
- large trace change predicted (8.07785e-06%)
- linmin: converged after 2 iterations.
- iteration 265: trace = 2.412658543839925 (8.07809e-06% change)
- large trace change predicted (1.85307e-05%)
- linmin: converged after 3 iterations.
- iteration 266: trace = 2.412658096780619 (1.85297e-05% change)
- linmin: converged after 18 iterations.
- iteration 267: trace = 2.412658002593856 (3.90386e-06% change)
- large trace change predicted (3.77283e-05%)
- linmin: converged after 3 iterations.
- iteration 268: trace = 2.412657092188933 (3.77345e-05% change)
- linmin: converged after 4 iterations.
- iteration 269: trace = 2.412656429543355 (2.74654e-05% change)
- linmin: converged after 4 iterations.
- iteration 270: trace = 2.41265589801858 (2.20307e-05% change)
- linmin: converged after 3 iterations.
- iteration 271: trace = 2.412655358921608 (2.23445e-05% change)
- linmin: converged after 3 iterations.
- iteration 272: trace = 2.412655030040948 (1.36315e-05% change)
- linmin: converged after 3 iterations.
- iteration 273: trace = 2.412654517206331 (2.1256e-05% change)
- linmin: converged after 4 iterations.
- iteration 274: trace = 2.412654104258636 (1.71159e-05% change)
- linmin: converged after 2 iterations.
- iteration 275: trace = 2.412654008311804 (3.97682e-06% change)
- large trace change predicted (1.39559e-05%)
- linmin: converged after 4 iterations.
- iteration 276: trace = 2.412653671573064 (1.39572e-05% change)
- linmin: converged after 9 iterations.
- iteration 277: trace = 2.412653422875603 (1.0308e-05% change)
- linmin: converged after 16 iterations.
- iteration 278: trace = 2.41265322595961 (8.1618e-06% change)
- large trace change predicted (2.00162e-05%)
- linmin: converged after 3 iterations.
- iteration 279: trace = 2.412652742693363 (2.00305e-05% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 280: trace = 2.412652499213283 (1.00918e-05% change)
- linmin: converged after 3 iterations.
- iteration 281: trace = 2.412652382534406 (4.83612e-06% change)
- linmin: converged after 3 iterations.
- iteration 282: trace = 2.41265228025235 (4.2394e-06% change)
- linmin: converged after 5 iterations.
- iteration 283: trace = 2.412652203955211 (3.16238e-06% change)
- linmin: converged after 5 iterations.
- iteration 284: trace = 2.412652078604591 (5.19555e-06% change)
- linmin: converged after 3 iterations.
- iteration 285: trace = 2.412651897560381 (7.50395e-06% change)
- linmin: converged after 4 iterations.
- iteration 286: trace = 2.412651836057836 (2.54917e-06% change)
- large trace change predicted (1.09091e-05%)
- linmin: converged after 3 iterations.
- iteration 287: trace = 2.412651572821896 (1.09106e-05% change)
- linmin: converged after 5 iterations.
- iteration 288: trace = 2.412651365715245 (8.58419e-06% change)
- linmin: converged after 4 iterations.
- iteration 289: trace = 2.412651274368442 (3.78616e-06% change)
- large trace change predicted (2.32161e-05%)
- linmin: converged after 5 iterations.
- iteration 290: trace = 2.412650714164187 (2.32194e-05% change)
- linmin: converged after 3 iterations.
- iteration 291: trace = 2.412650197980265 (2.13949e-05% change)
- linmin: converged after 14 iterations.
- iteration 292: trace = 2.412650023901272 (7.21526e-06% change)
- large trace change predicted (1.46825e-05%)
- linmin: converged after 7 iterations.
- iteration 293: trace = 2.412649669633992 (1.46837e-05% change)
- linmin: converged after 5 iterations.
- iteration 294: trace = 2.412649191611654 (1.98132e-05% change)
- linmin: converged after 3 iterations.
- iteration 295: trace = 2.412649120212764 (2.95936e-06% change)
- large trace change predicted (1.45801e-05%)
- linmin: converged after 3 iterations.
- iteration 296: trace = 2.412648768393653 (1.45823e-05% change)
- linmin: converged after 4 iterations.
- iteration 297: trace = 2.412648662526927 (4.38799e-06% change)
- linmin: converged after 4 iterations.
- iteration 298: trace = 2.412648519403908 (5.93219e-06% change)
- linmin: converged after 3 iterations.
- iteration 299: trace = 2.412648349644698 (7.03622e-06% change)
- linmin: converged after 3 iterations.
- iteration 300: trace = 2.412648232842123 (4.84126e-06% change)
- linmin: converged after 4 iterations.
- iteration 301: trace = 2.41264816261973 (2.91059e-06% change)
- large trace change predicted (8.08228e-06%)
- linmin: converged after 4 iterations.
- iteration 302: trace = 2.412647967602745 (8.08311e-06% change)
- linmin: converged after 5 iterations.
- iteration 303: trace = 2.412647942028923 (1.05999e-06% change)
- large trace change predicted (6.21236e-06%)
- linmin: converged after 3 iterations.
- iteration 304: trace = 2.412647792118586 (6.21352e-06% change)
- linmin: converged after 2 iterations.
- iteration 305: trace = 2.412647732544191 (2.46925e-06% change)
- linmin: converged after 4 iterations.
- iteration 306: trace = 2.412647708180303 (1.00984e-06% change)
- large trace change predicted (5.58163e-06%)
- linmin: converged after 4 iterations.
- iteration 307: trace = 2.412647573474179 (5.58333e-06% change)
- linmin: converged after 3 iterations.
- iteration 308: trace = 2.412647489905336 (3.46378e-06% change)
- linmin: converged after 3 iterations.
- iteration 309: trace = 2.412647457561911 (1.34058e-06% change)
- linmin: converged after 3 iterations.
- iteration 310: trace = 2.412647397836772 (2.4755e-06% change)
- linmin: converged after 3 iterations.
- iteration 311: trace = 2.412647312244798 (3.54764e-06% change)
- linmin: converged after 4 iterations.
- iteration 312: trace = 2.412647275682161 (1.51546e-06% change)
- large trace change predicted (7.70898e-06%)
- linmin: converged after 4 iterations.
- iteration 313: trace = 2.412647089582336 (7.71351e-06% change)
- linmin: converged after 3 iterations.
- iteration 314: trace = 2.412646991303354 (4.07349e-06% change)
- large trace change predicted (1.2663e-05%)
- linmin: converged after 3 iterations.
- iteration 315: trace = 2.412646685458969 (1.26767e-05% change)
- linmin: converged after 4 iterations.
- iteration 316: trace = 2.412646421520225 (1.09398e-05% change)
- linmin: converged after 4 iterations.
- iteration 317: trace = 2.412646177249891 (1.01246e-05% change)
- linmin: converged after 4 iterations.
- iteration 318: trace = 2.412646105544004 (2.97208e-06% change)
- large trace change predicted (1.07857e-05%)
- linmin: converged after 3 iterations.
- iteration 319: trace = 2.412645845148307 (1.0793e-05% change)
- linmin: converged after 3 iterations.
- iteration 320: trace = 2.412645805511652 (1.64287e-06% change)
- large trace change predicted (6.90953e-06%)
- linmin: converged after 3 iterations.
- iteration 321: trace = 2.412645638760237 (6.91156e-06% change)
- linmin: converged after 4 iterations.
- iteration 322: trace = 2.412645543881315 (3.93257e-06% change)
- linmin: converged after 4 iterations.
- iteration 323: trace = 2.412645505425639 (1.59392e-06% change)
- linmin: converged after 5 iterations.
- iteration 324: trace = 2.412645439333454 (2.73941e-06% change)
- linmin: converged after 3 iterations.
- iteration 325: trace = 2.412645350612028 (3.67735e-06% change)
- linmin: converged after 4 iterations.
- iteration 326: trace = 2.412645332911752 (7.33646e-07% change)
- large trace change predicted (4.13889e-06%)
- linmin: converged after 3 iterations.
- iteration 327: trace = 2.412645233040211 (4.1395e-06% change)
- linmin: converged after 14 iterations.
- iteration 328: trace = 2.412645203184484 (1.23747e-06% change)
- linmin: converged after 3 iterations.
- iteration 329: trace = 2.412645181289248 (9.0752e-07% change)
- large trace change predicted (2.92479e-06%)
- linmin: converged after 4 iterations.
- iteration 330: trace = 2.412645110725745 (2.92474e-06% change)
- linmin: converged after 2 iterations.
- iteration 331: trace = 2.412645079210439 (1.30626e-06% change)
- linmin: converged after 4 iterations.
- iteration 332: trace = 2.412645016555152 (2.59695e-06% change)
- linmin: converged after 5 iterations.
- iteration 333: trace = 2.412644934169797 (3.41473e-06% change)
- linmin: converged after 4 iterations.
- iteration 334: trace = 2.412644856765547 (3.20827e-06% change)
- linmin: converged after 3 iterations.
- iteration 335: trace = 2.412644734871159 (5.05231e-06% change)
- linmin: converged after 3 iterations.
- iteration 336: trace = 2.412644539766192 (8.08677e-06% change)
- linmin: converged after 3 iterations.
- iteration 337: trace = 2.412644430541675 (4.52717e-06% change)
- large trace change predicted (1.24159e-05%)
- linmin: converged after 4 iterations.
- iteration 338: trace = 2.412644131023137 (1.24145e-05% change)
- linmin: converged after 5 iterations.
- iteration 339: trace = 2.412643882971502 (1.02813e-05% change)
- linmin: converged after 4 iterations.
- iteration 340: trace = 2.412643726380697 (6.49042e-06% change)
- linmin: converged after 3 iterations.
- iteration 341: trace = 2.412643540563209 (7.70182e-06% change)
- linmin: converged after 5 iterations.
- iteration 342: trace = 2.412643423179353 (4.86536e-06% change)
- linmin: converged after 4 iterations.
- iteration 343: trace = 2.412643334084952 (3.69281e-06% change)
- linmin: converged after 3 iterations.
- iteration 344: trace = 2.412643171690913 (6.73096e-06% change)
- linmin: converged after 4 iterations.
- iteration 345: trace = 2.412643149287357 (9.2859e-07% change)
- large trace change predicted (2.85708e-06%)
- linmin: converged after 3 iterations.
- iteration 346: trace = 2.412643080367303 (2.85662e-06% change)
- linmin: converged after 3 iterations.
- iteration 347: trace = 2.41264302505136 (2.29275e-06% change)
- linmin: converged after 3 iterations.
- iteration 348: trace = 2.412643004927425 (8.34103e-07% change)
- large trace change predicted (3.61792e-06%)
- linmin: converged after 3 iterations.
- iteration 349: trace = 2.412642917646239 (3.61766e-06% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 350: trace = 2.412642859445579 (2.41232e-06% change)
- linmin: converged after 23 iterations.
- iteration 351: trace = 2.412642844813104 (6.06492e-07% change)
- large trace change predicted (1.70473e-06%)
- linmin: converged after 3 iterations.
- iteration 352: trace = 2.412642803688283 (1.70455e-06% change)
- linmin: converged after 6 iterations.
- iteration 353: trace = 2.412642759301845 (1.83974e-06% change)
- linmin: converged after 4 iterations.
- iteration 354: trace = 2.412642744248763 (6.23925e-07% change)
- large trace change predicted (4.72137e-06%)
- linmin: converged after 4 iterations.
- iteration 355: trace = 2.412642630332591 (4.72163e-06% change)
- linmin: converged after 3 iterations.
- iteration 356: trace = 2.412642589756975 (1.68179e-06% change)
- large trace change predicted (5.04259e-06%)
- linmin: converged after 3 iterations.
- iteration 357: trace = 2.412642468081529 (5.04324e-06% change)
- linmin: converged after 4 iterations.
- iteration 358: trace = 2.412642375922279 (3.81985e-06% change)
- linmin: converged after 4 iterations.
- iteration 359: trace = 2.412642328216889 (1.97731e-06% change)
- large trace change predicted (9.25169e-06%)
- linmin: converged after 3 iterations.
- iteration 360: trace = 2.41264210501252 (9.25145e-06% change)
- linmin: converged after 25 iterations.
- iteration 361: trace = 2.41264190884885 (8.13066e-06% change)
- linmin: converged after 5 iterations.
- iteration 362: trace = 2.41264181472791 (3.90116e-06% change)
- linmin: converged after 3 iterations.
- iteration 363: trace = 2.412641643121817 (7.11279e-06% change)
- linmin: converged after 4 iterations.
- iteration 364: trace = 2.412641531498043 (4.62662e-06% change)
- linmin: converged after 2 iterations.
- iteration 365: trace = 2.412641483554933 (1.98716e-06% change)
- large trace change predicted (4.8557e-06%)
- linmin: converged after 3 iterations.
- iteration 366: trace = 2.412641366411219 (4.85541e-06% change)
- linmin: converged after 23 iterations.
- iteration 367: trace = 2.412641317770237 (2.01609e-06% change)
- linmin: converged after 3 iterations.
- iteration 368: trace = 2.41264129264454 (1.04142e-06% change)
- linmin: converged after 3 iterations.
- iteration 369: trace = 2.412641255843273 (1.52535e-06% change)
- linmin: converged after 3 iterations.
- iteration 370: trace = 2.412641206702936 (2.03679e-06% change)
- linmin: converged after 5 iterations.
- iteration 371: trace = 2.412641193433993 (5.49976e-07% change)
- large trace change predicted (2.88416e-06%)
- linmin: converged after 12 iterations.
- iteration 372: trace = 2.412641123854957 (2.88394e-06% change)
- linmin: converged after 6 iterations.
- iteration 373: trace = 2.412641111673959 (5.04882e-07% change)
- large trace change predicted (2.18833e-06%)
- linmin: converged after 3 iterations.
- iteration 374: trace = 2.412641058883741 (2.18807e-06% change)
- linmin: converged after 2 iterations.
- iteration 375: trace = 2.412641021181182 (1.56271e-06% change)
- linmin: converged after 3 iterations.
- iteration 376: trace = 2.412641007196029 (5.79662e-07% change)
- large trace change predicted (2.3571e-06%)
- linmin: converged after 3 iterations.
- iteration 377: trace = 2.412640950335902 (2.35676e-06% change)
- linmin: converged after 3 iterations.
- iteration 378: trace = 2.412640872040208 (3.24523e-06% change)
- linmin: converged after 9 iterations.
- iteration 379: trace = 2.412640857046176 (6.21478e-07% change)
- large trace change predicted (4.68049e-06%)
- linmin: converged after 4 iterations.
- iteration 380: trace = 2.412640744163901 (4.67878e-06% change)
- linmin: converged after 4 iterations.
- iteration 381: trace = 2.412640680759552 (2.62801e-06% change)
- linmin: converged after 5 iterations.
- iteration 382: trace = 2.412640631533238 (2.04035e-06% change)
- large trace change predicted (1.0186e-05%)
- linmin: converged after 4 iterations.
- iteration 383: trace = 2.412640386046092 (1.0175e-05% change)
- linmin: converged after 4 iterations.
- iteration 384: trace = 2.41264017655295 (8.68315e-06% change)
- linmin: converged after 3 iterations.
- iteration 385: trace = 2.412640111861084 (2.68137e-06% change)
- linmin: converged after 3 iterations.
- iteration 386: trace = 2.412640001020523 (4.59416e-06% change)
- linmin: converged after 4 iterations.
- iteration 387: trace = 2.412639906186659 (3.93071e-06% change)
- linmin: converged after 8 iterations.
- iteration 388: trace = 2.412639875163693 (1.28585e-06% change)
- large trace change predicted (3.61999e-06%)
- linmin: converged after 4 iterations.
- iteration 389: trace = 2.412639787843438 (3.61928e-06% change)
- linmin: converged after 4 iterations.
- iteration 390: trace = 2.412639730956203 (2.35788e-06% change)
- linmin: converged after 3 iterations.
- iteration 391: trace = 2.412639697743978 (1.37659e-06% change)
- large trace change predicted (2.82443e-06%)
- linmin: converged after 3 iterations.
- iteration 392: trace = 2.412639629618678 (2.82368e-06% change)
- linmin: converged after 4 iterations.
- iteration 393: trace = 2.412639614807787 (6.13887e-07% change)
- large trace change predicted (1.80279e-06%)
- linmin: converged after 4 iterations.
- iteration 394: trace = 2.412639571322255 (1.8024e-06% change)
- linmin: converged after 4 iterations.
- iteration 395: trace = 2.412639520785221 (2.09468e-06% change)
- linmin: converged after 4 iterations.
- iteration 396: trace = 2.412639509208852 (4.79822e-07% change)
- large trace change predicted (3.38565e-06%)
- linmin: converged after 8 iterations.
- iteration 397: trace = 2.412639427535376 (3.38523e-06% change)
- linmin: converged after 3 iterations.
- iteration 398: trace = 2.412639395629452 (1.32245e-06% change)
- linmin: converged after 11 iterations.
- iteration 399: trace = 2.412639348248921 (1.96385e-06% change)
- linmin: converged after 3 iterations.
- iteration 400: trace = 2.412639294455711 (2.22964e-06% change)
- linmin: converged after 2 iterations.
- iteration 401: trace = 2.412639258035655 (1.50955e-06% change)
- linmin: converged after 3 iterations.
- iteration 402: trace = 2.412639190554862 (2.79697e-06% change)
- linmin: converged after 20 iterations.
- iteration 403: trace = 2.41263905959015 (5.42828e-06% change)
- linmin: converged after 3 iterations.
- iteration 404: trace = 2.412639025377223 (1.41807e-06% change)
- large trace change predicted (8.1116e-06%)
- linmin: converged after 3 iterations.
- iteration 405: trace = 2.412638829658797 (8.11221e-06% change)
- linmin: converged after 9 iterations.
- iteration 406: trace = 2.412638654950277 (7.24139e-06% change)
- linmin: converged after 3 iterations.
- iteration 407: trace = 2.412638598791363 (2.3277e-06% change)
- large trace change predicted (1.43761e-05%)
- linmin: converged after 5 iterations.
- iteration 408: trace = 2.412638251955339 (1.43758e-05% change)
- linmin: converged after 5 iterations.
- iteration 409: trace = 2.41263806804024 (7.62299e-06% change)
- linmin: converged after 4 iterations.
- iteration 410: trace = 2.412637954368074 (4.71153e-06% change)
- linmin: converged after 2 iterations.
- iteration 411: trace = 2.4126378702081 (3.4883e-06% change)
- linmin: converged after 3 iterations.
- iteration 412: trace = 2.412637808358002 (2.56359e-06% change)
- linmin: converged after 11 iterations.
- iteration 413: trace = 2.412637747018324 (2.54243e-06% change)
- linmin: converged after 2 iterations.
- iteration 414: trace = 2.412637670086128 (3.18872e-06% change)
- linmin: converged after 2 iterations.
- iteration 415: trace = 2.41263763000963 (1.66111e-06% change)
- linmin: converged after 2 iterations.
- iteration 416: trace = 2.412637610893117 (7.92349e-07% change)
- large trace change predicted (1.72997e-06%)
- linmin: converged after 23 iterations.
- iteration 417: trace = 2.412637569153494 (1.73004e-06% change)
- linmin: converged after 4 iterations.
- iteration 418: trace = 2.412637520374493 (2.02181e-06% change)
- linmin: converged after 4 iterations.
- iteration 419: trace = 2.412637490056796 (1.25662e-06% change)
- resetting CG direction...
- linmin: converged after 37 iterations.
- iteration 420: trace = 2.412637461836419 (1.16969e-06% change)
- linmin: converged after 26 iterations.
- iteration 421: trace = 2.412637422063909 (1.64851e-06% change)
- linmin: converged after 10 iterations.
- iteration 422: trace = 2.412637385152995 (1.5299e-06% change)
- linmin: converged after 3 iterations.
- iteration 423: trace = 2.412637370796596 (5.9505e-07% change)
- large trace change predicted (1.80367e-06%)
- linmin: converged after 2 iterations.
- iteration 424: trace = 2.412637327279852 (1.8037e-06% change)
- linmin: converged after 3 iterations.
- iteration 425: trace = 2.412637258979955 (2.83092e-06% change)
- linmin: converged after 4 iterations.
- iteration 426: trace = 2.412637239659023 (8.00822e-07% change)
- large trace change predicted (3.59485e-06%)
- linmin: converged after 7 iterations.
- iteration 427: trace = 2.412637152925136 (3.59498e-06% change)
- linmin: converged after 3 iterations.
- iteration 428: trace = 2.412637091234963 (2.55696e-06% change)
- linmin: converged after 5 iterations.
- iteration 429: trace = 2.412637052961576 (1.58637e-06% change)
- large trace change predicted (8.00613e-06%)
- linmin: converged after 3 iterations.
- iteration 430: trace = 2.412636859775859 (8.00724e-06% change)
- linmin: converged after 3 iterations.
- iteration 431: trace = 2.412636737527146 (5.06702e-06% change)
- linmin: converged after 5 iterations.
- iteration 432: trace = 2.412636571570054 (6.87866e-06% change)
- linmin: converged after 3 iterations.
- iteration 433: trace = 2.412636453794437 (4.88161e-06% change)
- linmin: converged after 3 iterations.
- iteration 434: trace = 2.41263637227653 (3.37879e-06% change)
- linmin: converged after 4 iterations.
- iteration 435: trace = 2.412636272347467 (4.1419e-06% change)
- linmin: converged after 3 iterations.
- iteration 436: trace = 2.412636181631174 (3.76005e-06% change)
- linmin: converged after 3 iterations.
- iteration 437: trace = 2.412636132225534 (2.04779e-06% change)
- linmin: converged after 5 iterations.
- iteration 438: trace = 2.412636113738276 (7.66268e-07% change)
- linmin: converged after 5 iterations.
- iteration 439: trace = 2.412636076883901 (1.52756e-06% change)
- linmin: converged after 21 iterations.
- iteration 440: trace = 2.412636046674913 (1.25212e-06% change)
- linmin: converged after 25 iterations.
- iteration 441: trace = 2.412636033138629 (5.61058e-07% change)
- large trace change predicted (2.01909e-06%)
- linmin: converged after 3 iterations.
- iteration 442: trace = 2.412635984420391 (2.01929e-06% change)
- linmin: converged after 6 iterations.
- iteration 443: trace = 2.412635978767852 (2.34289e-07% change)
- large trace change predicted (1.72274e-06%)
- linmin: converged after 3 iterations.
- iteration 444: trace = 2.412635937196194 (1.72308e-06% change)
- linmin: converged after 3 iterations.
- iteration 445: trace = 2.41263591745279 (8.18333e-07% change)
- linmin: converged after 13 iterations.
- iteration 446: trace = 2.412635907137475 (4.27554e-07% change)
- large trace change predicted (1.84736e-06%)
- linmin: converged after 4 iterations.
- iteration 447: trace = 2.412635862549712 (1.84809e-06% change)
- linmin: converged after 3 iterations.
- iteration 448: trace = 2.412635846399404 (6.69405e-07% change)
- large trace change predicted (1.37742e-06%)
- linmin: converged after 6 iterations.
- iteration 449: trace = 2.412635813159552 (1.37774e-06% change)
- linmin: converged after 5 iterations.
- iteration 450: trace = 2.412635770365978 (1.77373e-06% change)
- linmin: converged after 2 iterations.
- iteration 451: trace = 2.412635750730444 (8.13862e-07% change)
- large trace change predicted (1.79047e-06%)
- linmin: converged after 5 iterations.
- iteration 452: trace = 2.412635707525042 (1.7908e-06% change)
- linmin: converged after 3 iterations.
- iteration 453: trace = 2.412635632280543 (3.11877e-06% change)
- linmin: converged after 2 iterations.
- iteration 454: trace = 2.412635606637174 (1.06288e-06% change)
- large trace change predicted (4.82637e-06%)
- linmin: converged after 3 iterations.
- iteration 455: trace = 2.41263549011407 (4.8297e-06% change)
- linmin: converged after 3 iterations.
- iteration 456: trace = 2.412635412984554 (3.1969e-06% change)
- linmin: converged after 5 iterations.
- iteration 457: trace = 2.412635330996352 (3.39828e-06% change)
- linmin: converged after 3 iterations.
- iteration 458: trace = 2.412635285448702 (1.88788e-06% change)
- linmin: converged after 4 iterations.
- iteration 459: trace = 2.412635209854777 (3.13325e-06% change)
- linmin: converged after 2 iterations.
- iteration 460: trace = 2.412635200585132 (3.84212e-07% change)
- large trace change predicted (1.50984e-06%)
- linmin: converged after 3 iterations.
- iteration 461: trace = 2.412635164153197 (1.51005e-06% change)
- linmin: converged after 4 iterations.
- iteration 462: trace = 2.41263513479678 (1.21678e-06% change)
- linmin: converged after 2 iterations.
- iteration 463: trace = 2.412635126557433 (3.41508e-07% change)
- large trace change predicted (7.16386e-07%)
- linmin: converged after 2 iterations.
- iteration 464: trace = 2.412635109273548 (7.1639e-07% change)
- linmin: converged after 4 iterations.
- iteration 465: trace = 2.41263508246062 (1.11135e-06% change)
- linmin: converged after 2 iterations.
- iteration 466: trace = 2.412635075327449 (2.95659e-07% change)
- large trace change predicted (1.43069e-06%)
- linmin: converged after 3 iterations.
- iteration 467: trace = 2.412635040809578 (1.43071e-06% change)
- linmin: converged after 19 iterations.
- iteration 468: trace = 2.412635035295058 (2.28568e-07% change)
- large trace change predicted (6.50671e-07%)
- linmin: converged after 3 iterations.
- iteration 469: trace = 2.412635019596424 (6.50684e-07% change)
- linmin: converged after 3 iterations.
- iteration 470: trace = 2.412634992251697 (1.1334e-06% change)
- linmin: converged after 3 iterations.
- iteration 471: trace = 2.412634986950811 (2.19714e-07% change)
- large trace change predicted (1.39549e-06%)
- linmin: converged after 3 iterations.
- iteration 472: trace = 2.412634953285932 (1.39536e-06% change)
- linmin: converged after 6 iterations.
- iteration 473: trace = 2.412634914603901 (1.60331e-06% change)
- linmin: converged after 5 iterations.
- iteration 474: trace = 2.41263489795668 (6.90002e-07% change)
- large trace change predicted (2.33508e-06%)
- linmin: converged after 3 iterations.
- iteration 475: trace = 2.412634841612952 (2.33536e-06% change)
- linmin: converged after 5 iterations.
- iteration 476: trace = 2.412634784959861 (2.34818e-06% change)
- linmin: converged after 2 iterations.
- iteration 477: trace = 2.412634757823982 (1.12474e-06% change)
- large trace change predicted (4.58615e-06%)
- linmin: converged after 4 iterations.
- iteration 478: trace = 2.412634647181987 (4.58594e-06% change)
- linmin: converged after 4 iterations.
- iteration 479: trace = 2.41263460232079 (1.85943e-06% change)
- linmin: converged after 5 iterations.
- iteration 480: trace = 2.41263452617724 (3.15603e-06% change)
- linmin: converged after 3 iterations.
- iteration 481: trace = 2.412634473371547 (2.18871e-06% change)
- linmin: converged after 19 iterations.
- iteration 482: trace = 2.412634433120973 (1.66832e-06% change)
- linmin: converged after 4 iterations.
- iteration 483: trace = 2.412634419686824 (5.56825e-07% change)
- large trace change predicted (1.73249e-06%)
- linmin: converged after 3 iterations.
- iteration 484: trace = 2.412634377890523 (1.73239e-06% change)
- linmin: converged after 5 iterations.
- iteration 485: trace = 2.412634372053955 (2.41917e-07% change)
- large trace change predicted (8.30937e-07%)
- linmin: converged after 16 iterations.
- iteration 486: trace = 2.412634352006608 (8.30932e-07% change)
- linmin: converged after 4 iterations.
- iteration 487: trace = 2.412634338410168 (5.63552e-07% change)
- linmin: converged after 33 iterations.
- iteration 488: trace = 2.412634332981738 (2.25e-07% change)
- large trace change predicted (7.47497e-07%)
- linmin: converged after 2 iterations.
- iteration 489: trace = 2.412634314947199 (7.47504e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 490: trace = 2.412634300150948 (6.13282e-07% change)
- linmin: converged after 6 iterations.
- iteration 491: trace = 2.412634295241867 (2.03474e-07% change)
- large trace change predicted (5.46002e-07%)
- linmin: converged after 4 iterations.
- iteration 492: trace = 2.412634282068757 (5.46005e-07% change)
- linmin: converged after 4 iterations.
- iteration 493: trace = 2.412634265485243 (6.87361e-07% change)
- linmin: converged after 3 iterations.
- iteration 494: trace = 2.412634260110126 (2.2279e-07% change)
- large trace change predicted (1.6288e-06%)
- linmin: converged after 2 iterations.
- iteration 495: trace = 2.412634220812826 (1.62881e-06% change)
- linmin: converged after 23 iterations.
- iteration 496: trace = 2.41263421181123 (3.73102e-07% change)
- large trace change predicted (9.92174e-07%)
- linmin: converged after 19 iterations.
- iteration 497: trace = 2.412634187873508 (9.92182e-07% change)
- large trace change predicted (2.26742e-06%)
- linmin: converged after 4 iterations.
- iteration 498: trace = 2.412634133169127 (2.26741e-06% change)
- linmin: converged after 3 iterations.
- iteration 499: trace = 2.412634119882701 (5.50702e-07% change)
- large trace change predicted (3.23838e-06%)
- linmin: converged after 5 iterations.
- iteration 500: trace = 2.412634041749078 (3.23852e-06% change)
- linmin: converged after 3 iterations.
- iteration 501: trace = 2.412633963062304 (3.26145e-06% change)
- linmin: converged after 3 iterations.
- iteration 502: trace = 2.412633939997421 (9.56004e-07% change)
- linmin: converged after 3 iterations.
- iteration 503: trace = 2.41263389600519 (1.82341e-06% change)
- linmin: converged after 5 iterations.
- iteration 504: trace = 2.412633851756059 (1.83406e-06% change)
- linmin: converged after 3 iterations.
- iteration 505: trace = 2.412633836871628 (6.16937e-07% change)
- large trace change predicted (1.52743e-06%)
- linmin: converged after 3 iterations.
- iteration 506: trace = 2.41263380001807 (1.52752e-06% change)
- linmin: converged after 19 iterations.
- iteration 507: trace = 2.412633779144836 (8.65164e-07% change)
- linmin: converged after 3 iterations.
- iteration 508: trace = 2.412633772650124 (2.69196e-07% change)
- linmin: converged after 3 iterations.
- iteration 509: trace = 2.41263376084543 (4.89287e-07% change)
- linmin: converged after 3 iterations.
- iteration 510: trace = 2.412633742575502 (7.57261e-07% change)
- linmin: converged after 3 iterations.
- iteration 511: trace = 2.412633738690095 (1.61044e-07% change)
- large trace change predicted (9.53845e-07%)
- linmin: converged after 8 iterations.
- iteration 512: trace = 2.412633715678568 (9.53793e-07% change)
- linmin: converged after 13 iterations.
- iteration 513: trace = 2.412633712018798 (1.51692e-07% change)
- large trace change predicted (7.4822e-07%)
- linmin: converged after 4 iterations.
- iteration 514: trace = 2.412633693968217 (7.48169e-07% change)
- linmin: converged after 2 iterations.
- iteration 515: trace = 2.412633677830488 (6.68884e-07% change)
- linmin: converged after 7 iterations.
- iteration 516: trace = 2.412633673498156 (1.79569e-07% change)
- large trace change predicted (9.78752e-07%)
- linmin: converged after 3 iterations.
- iteration 517: trace = 2.412633649886695 (9.78659e-07% change)
- linmin: converged after 4 iterations.
- iteration 518: trace = 2.412633624126148 (1.06774e-06% change)
- linmin: converged after 2 iterations.
- iteration 519: trace = 2.41263361841423 (2.3675e-07% change)
- large trace change predicted (1.47906e-06%)
- linmin: converged after 3 iterations.
- iteration 520: trace = 2.412633582735239 (1.47884e-06% change)
- linmin: converged after 7 iterations.
- iteration 521: trace = 2.412633546948009 (1.48333e-06% change)
- linmin: converged after 4 iterations.
- iteration 522: trace = 2.41263348544075 (2.54938e-06% change)
- linmin: converged after 12 iterations.
- iteration 523: trace = 2.412633439590564 (1.90042e-06% change)
- linmin: converged after 5 iterations.
- iteration 524: trace = 2.412633370423544 (2.86687e-06% change)
- linmin: converged after 3 iterations.
- iteration 525: trace = 2.412633347840773 (9.36022e-07% change)
- linmin: converged after 3 iterations.
- iteration 526: trace = 2.412633307955387 (1.65319e-06% change)
- linmin: converged after 3 iterations.
- iteration 527: trace = 2.412633273147848 (1.44272e-06% change)
- linmin: converged after 29 iterations.
- iteration 528: trace = 2.412633262489179 (4.41786e-07% change)
- large trace change predicted (1.30939e-06%)
- linmin: converged after 3 iterations.
- iteration 529: trace = 2.412633230905143 (1.30911e-06% change)
- linmin: converged after 3 iterations.
- iteration 530: trace = 2.412633206840749 (9.97433e-07% change)
- linmin: converged after 13 iterations.
- iteration 531: trace = 2.412633200936574 (2.44719e-07% change)
- large trace change predicted (1.05694e-06%)
- linmin: converged after 3 iterations.
- iteration 532: trace = 2.412633175442258 (1.0567e-06% change)
- linmin: converged after 10 iterations.
- iteration 533: trace = 2.412633168222967 (2.99229e-07% change)
- linmin: converged after 3 iterations.
- iteration 534: trace = 2.412633158476981 (4.03956e-07% change)
- large trace change predicted (9.6653e-07%)
- linmin: converged after 4 iterations.
- iteration 535: trace = 2.412633135161465 (9.66393e-07% change)
- linmin: converged after 4 iterations.
- iteration 536: trace = 2.41263312653655 (3.5749e-07% change)
- large trace change predicted (7.73713e-07%)
- linmin: converged after 4 iterations.
- iteration 537: trace = 2.412633107870155 (7.73694e-07% change)
- linmin: converged after 4 iterations.
- iteration 538: trace = 2.412633097143944 (4.44585e-07% change)
- linmin: converged after 4 iterations.
- iteration 539: trace = 2.412633087428071 (4.02708e-07% change)
- large trace change predicted (9.79657e-07%)
- linmin: converged after 6 iterations.
- iteration 540: trace = 2.412633063790916 (9.79724e-07% change)
- linmin: converged after 3 iterations.
- iteration 541: trace = 2.412633039678841 (9.99409e-07% change)
- linmin: converged after 2 iterations.
- iteration 542: trace = 2.41263302600683 (5.66684e-07% change)
- large trace change predicted (1.72997e-06%)
- linmin: converged after 3 iterations.
- iteration 543: trace = 2.412632984268974 (1.72997e-06% change)
- linmin: converged after 9 iterations.
- iteration 544: trace = 2.412632956748031 (1.1407e-06% change)
- linmin: converged after 16 iterations.
- iteration 545: trace = 2.4126329182803 (1.59443e-06% change)
- linmin: converged after 3 iterations.
- iteration 546: trace = 2.412632854540752 (2.64191e-06% change)
- linmin: converged after 2 iterations.
- iteration 547: trace = 2.412632806870938 (1.97584e-06% change)
- large trace change predicted (3.95876e-06%)
- linmin: converged after 3 iterations.
- iteration 548: trace = 2.4126327113534 (3.95906e-06% change)
- linmin: converged after 3 iterations.
- iteration 549: trace = 2.412632631852261 (3.2952e-06% change)
- linmin: converged after 4 iterations.
- iteration 550: trace = 2.412632613196227 (7.73265e-07% change)
- linmin: converged after 2 iterations.
- iteration 551: trace = 2.412632585585498 (1.14442e-06% change)
- linmin: converged after 3 iterations.
- iteration 552: trace = 2.412632559925147 (1.06358e-06% change)
- linmin: converged after 5 iterations.
- iteration 553: trace = 2.412632549432359 (4.3491e-07% change)
- large trace change predicted (1.0846e-06%)
- linmin: converged after 2 iterations.
- iteration 554: trace = 2.412632523264577 (1.08462e-06% change)
- linmin: converged after 4 iterations.
- iteration 555: trace = 2.412632509436549 (5.73151e-07% change)
- linmin: converged after 4 iterations.
- iteration 556: trace = 2.412632503266173 (2.55753e-07% change)
- large trace change predicted (5.80132e-07%)
- linmin: converged after 3 iterations.
- iteration 557: trace = 2.412632489269159 (5.80155e-07% change)
- linmin: converged after 3 iterations.
- iteration 558: trace = 2.412632477608584 (4.83313e-07% change)
- linmin: converged after 2 iterations.
- iteration 559: trace = 2.412632465379013 (5.06897e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 560: trace = 2.41263245369378 (4.84335e-07% change)
- linmin: converged after 30 iterations.
- iteration 561: trace = 2.41263244335804 (4.28401e-07% change)
- linmin: converged after 4 iterations.
- iteration 562: trace = 2.412632430232763 (5.44023e-07% change)
- linmin: converged after 3 iterations.
- iteration 563: trace = 2.412632423731303 (2.69476e-07% change)
- linmin: converged after 3 iterations.
- iteration 564: trace = 2.412632410743588 (5.38321e-07% change)
- linmin: converged after 2 iterations.
- iteration 565: trace = 2.41263238748334 (9.64102e-07% change)
- linmin: converged after 6 iterations.
- iteration 566: trace = 2.412632377969501 (3.94334e-07% change)
- large trace change predicted (8.43205e-07%)
- linmin: converged after 8 iterations.
- iteration 567: trace = 2.412632357625399 (8.43233e-07% change)
- linmin: converged after 4 iterations.
- iteration 568: trace = 2.412632330923643 (1.10675e-06% change)
- linmin: converged after 3 iterations.
- iteration 569: trace = 2.412632316919374 (5.80456e-07% change)
- large trace change predicted (2.65367e-06%)
- linmin: converged after 3 iterations.
- iteration 570: trace = 2.412632252898448 (2.65357e-06% change)
- linmin: converged after 2 iterations.
- iteration 571: trace = 2.412632189217207 (2.63949e-06% change)
- linmin: converged after 4 iterations.
- iteration 572: trace = 2.412632144336174 (1.86025e-06% change)
- linmin: converged after 4 iterations.
- iteration 573: trace = 2.412632097787958 (1.92935e-06% change)
- linmin: converged after 3 iterations.
- iteration 574: trace = 2.412632061401309 (1.50817e-06% change)
- linmin: converged after 4 iterations.
- iteration 575: trace = 2.412632048557409 (5.32361e-07% change)
- large trace change predicted (1.14498e-06%)
- linmin: converged after 5 iterations.
- iteration 576: trace = 2.412632020932712 (1.145e-06% change)
- linmin: converged after 3 iterations.
- iteration 577: trace = 2.412632011126674 (4.06446e-07% change)
- linmin: converged after 2 iterations.
- iteration 578: trace = 2.412631995874579 (6.32177e-07% change)
- linmin: converged after 4 iterations.
- iteration 579: trace = 2.41263197896067 (7.01056e-07% change)
- linmin: converged after 3 iterations.
- iteration 580: trace = 2.412631973942156 (2.0801e-07% change)
- linmin: converged after 7 iterations.
- iteration 581: trace = 2.412631968292681 (2.34162e-07% change)
- large trace change predicted (6.12867e-07%)
- linmin: converged after 3 iterations.
- iteration 582: trace = 2.412631953505372 (6.12912e-07% change)
- linmin: converged after 31 iterations.
- iteration 583: trace = 2.412631950336109 (1.31361e-07% change)
- large trace change predicted (5.99932e-07%)
- linmin: converged after 4 iterations.
- iteration 584: trace = 2.412631935859884 (6.00018e-07% change)
- linmin: converged after 15 iterations.
- iteration 585: trace = 2.41263192768191 (3.38965e-07% change)
- linmin: converged after 7 iterations.
- iteration 586: trace = 2.412631922863373 (1.99721e-07% change)
- large trace change predicted (5.84064e-07%)
- linmin: converged after 3 iterations.
- iteration 587: trace = 2.412631908769953 (5.84151e-07% change)
- linmin: converged after 3 iterations.
- iteration 588: trace = 2.41263189445185 (5.93464e-07% change)
- linmin: converged after 3 iterations.
- iteration 589: trace = 2.412631889210663 (2.17239e-07% change)
- large trace change predicted (7.96732e-07%)
- linmin: converged after 3 iterations.
- iteration 590: trace = 2.412631869986904 (7.96796e-07% change)
- linmin: converged after 3 iterations.
- iteration 591: trace = 2.41263185711967 (5.33328e-07% change)
- linmin: converged after 3 iterations.
- iteration 592: trace = 2.412631847821285 (3.85404e-07% change)
- large trace change predicted (1.10194e-06%)
- linmin: converged after 4 iterations.
- iteration 593: trace = 2.412631821232198 (1.10208e-06% change)
- linmin: converged after 4 iterations.
- iteration 594: trace = 2.412631786206274 (1.45177e-06% change)
- linmin: converged after 3 iterations.
- iteration 595: trace = 2.41263176985648 (6.77675e-07% change)
- large trace change predicted (2.22662e-06%)
- linmin: converged after 3 iterations.
- iteration 596: trace = 2.412631716096847 (2.22826e-06% change)
- linmin: converged after 3 iterations.
- iteration 597: trace = 2.412631703763633 (5.11193e-07% change)
- linmin: converged after 4 iterations.
- iteration 598: trace = 2.412631694597279 (3.79932e-07% change)
- large trace change predicted (1.057e-06%)
- linmin: converged after 5 iterations.
- iteration 599: trace = 2.412631669090178 (1.05723e-06% change)
- linmin: converged after 24 iterations.
- iteration 600: trace = 2.412631666577382 (1.04152e-07% change)
- large trace change predicted (6.32033e-07%)
- linmin: converged after 3 iterations.
- iteration 601: trace = 2.412631651327268 (6.32095e-07% change)
- linmin: converged after 12 iterations.
- iteration 602: trace = 2.412631642500072 (3.65874e-07% change)
- linmin: converged after 10 iterations.
- iteration 603: trace = 2.412631639502962 (1.24226e-07% change)
- large trace change predicted (2.7101e-07%)
- linmin: converged after 2 iterations.
- iteration 604: trace = 2.412631632964456 (2.71011e-07% change)
- linmin: converged after 31 iterations.
- iteration 605: trace = 2.412631623224284 (4.03716e-07% change)
- linmin: converged after 10 iterations.
- iteration 606: trace = 2.412631621437908 (7.40426e-08% change)
- large trace change predicted (4.79149e-07%)
- linmin: converged after 16 iterations.
- iteration 607: trace = 2.412631609877675 (4.79154e-07% change)
- linmin: converged after 19 iterations.
- iteration 608: trace = 2.412631605161407 (1.95482e-07% change)
- linmin: converged after 25 iterations.
- iteration 609: trace = 2.412631599555391 (2.32361e-07% change)
- linmin: converged after 6 iterations.
- iteration 610: trace = 2.412631593178603 (2.64308e-07% change)
- linmin: converged after 3 iterations.
- iteration 611: trace = 2.41263158701481 (2.5548e-07% change)
- linmin: converged after 33 iterations.
- iteration 612: trace = 2.41263157963608 (3.05837e-07% change)
- large trace change predicted (6.98035e-07%)
- linmin: converged after 6 iterations.
- iteration 613: trace = 2.412631562796769 (6.97964e-07% change)
- linmin: converged after 17 iterations.
- iteration 614: trace = 2.412631553718684 (3.76273e-07% change)
- linmin: converged after 8 iterations.
- iteration 615: trace = 2.412631539941835 (5.7103e-07% change)
- linmin: converged after 4 iterations.
- iteration 616: trace = 2.412631517181493 (9.43382e-07% change)
- linmin: converged after 28 iterations.
- iteration 617: trace = 2.41263150355989 (5.64595e-07% change)
- large trace change predicted (1.18514e-06%)
- linmin: converged after 4 iterations.
- iteration 618: trace = 2.412631474967517 (1.18511e-06% change)
- linmin: converged after 3 iterations.
- iteration 619: trace = 2.412631442270336 (1.35525e-06% change)
- linmin: converged after 2 iterations.
- iteration 620: trace = 2.412631435127363 (2.96066e-07% change)
- large trace change predicted (1.13257e-06%)
- linmin: converged after 3 iterations.
- iteration 621: trace = 2.412631407804125 (1.13251e-06% change)
- linmin: converged after 6 iterations.
- iteration 622: trace = 2.412631401965749 (2.41992e-07% change)
- linmin: converged after 3 iterations.
- iteration 623: trace = 2.412631397521911 (1.84191e-07% change)
- large trace change predicted (5.10997e-07%)
- linmin: converged after 3 iterations.
- iteration 624: trace = 2.412631385193774 (5.10983e-07% change)
- linmin: converged after 3 iterations.
- iteration 625: trace = 2.412631378770197 (2.66248e-07% change)
- linmin: converged after 4 iterations.
- iteration 626: trace = 2.41263137484718 (1.62603e-07% change)
- linmin: converged after 11 iterations.
- iteration 627: trace = 2.412631370814226 (1.6716e-07% change)
- linmin: converged after 35 iterations.
- iteration 628: trace = 2.412631366116999 (1.94693e-07% change)
- linmin: converged after 16 iterations.
- iteration 629: trace = 2.412631356821822 (3.85271e-07% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 630: trace = 2.412631348575617 (3.41793e-07% change)
- linmin: converged after 14 iterations.
- iteration 631: trace = 2.412631344775499 (1.57509e-07% change)
- linmin: converged after 14 iterations.
- iteration 632: trace = 2.41263134037631 (1.8234e-07% change)
- linmin: converged after 24 iterations.
- iteration 633: trace = 2.412631337019239 (1.39146e-07% change)
- linmin: converged after 3 iterations.
- iteration 634: trace = 2.412631331932099 (2.10854e-07% change)
- large trace change predicted (4.35955e-07%)
- linmin: converged after 2 iterations.
- iteration 635: trace = 2.412631321414021 (4.35959e-07% change)
- linmin: converged after 4 iterations.
- iteration 636: trace = 2.412631318506287 (1.20521e-07% change)
- linmin: converged after 4 iterations.
- iteration 637: trace = 2.412631312746789 (2.38723e-07% change)
- large trace change predicted (7.69623e-07%)
- linmin: converged after 5 iterations.
- iteration 638: trace = 2.412631294178333 (7.69635e-07% change)
- linmin: converged after 3 iterations.
- iteration 639: trace = 2.412631291034589 (1.30304e-07% change)
- large trace change predicted (1.09448e-06%)
- linmin: converged after 3 iterations.
- iteration 640: trace = 2.412631264628368 (1.0945e-06% change)
- linmin: converged after 3 iterations.
- iteration 641: trace = 2.41263124912147 (6.42738e-07% change)
- linmin: converged after 2 iterations.
- iteration 642: trace = 2.412631239439007 (4.01324e-07% change)
- large trace change predicted (9.91288e-07%)
- linmin: converged after 2 iterations.
- iteration 643: trace = 2.412631215522822 (9.91291e-07% change)
- linmin: converged after 18 iterations.
- iteration 644: trace = 2.412631200366761 (6.28196e-07% change)
- linmin: converged after 4 iterations.
- iteration 645: trace = 2.412631192481276 (3.26842e-07% change)
- large trace change predicted (7.02471e-07%)
- linmin: converged after 6 iterations.
- iteration 646: trace = 2.412631175532277 (7.02511e-07% change)
- linmin: converged after 4 iterations.
- iteration 647: trace = 2.412631168356966 (2.97406e-07% change)
- linmin: converged after 20 iterations.
- iteration 648: trace = 2.412631164524544 (1.58848e-07% change)
- linmin: converged after 4 iterations.
- iteration 649: trace = 2.412631160092022 (1.83721e-07% change)
- linmin: converged after 4 iterations.
- iteration 650: trace = 2.412631156216765 (1.60624e-07% change)
- linmin: converged after 13 iterations.
- iteration 651: trace = 2.412631151694931 (1.87423e-07% change)
- linmin: converged after 3 iterations.
- iteration 652: trace = 2.412631144549845 (2.96153e-07% change)
- linmin: converged after 21 iterations.
- iteration 653: trace = 2.412631142902795 (6.82678e-08% change)
- large trace change predicted (1.86389e-07%)
- linmin: converged after 3 iterations.
- iteration 654: trace = 2.412631138406192 (1.86378e-07% change)
- linmin: converged after 5 iterations.
- iteration 655: trace = 2.412631130435484 (3.30374e-07% change)
- linmin: converged after 4 iterations.
- iteration 656: trace = 2.41263112839775 (8.4461e-08% change)
- large trace change predicted (2.72789e-07%)
- linmin: converged after 4 iterations.
- iteration 657: trace = 2.412631121816636 (2.72777e-07% change)
- linmin: converged after 4 iterations.
- iteration 658: trace = 2.412631111959638 (4.08558e-07% change)
- linmin: converged after 27 iterations.
- iteration 659: trace = 2.412631109871882 (8.65344e-08% change)
- large trace change predicted (4.30123e-07%)
- linmin: converged after 5 iterations.
- iteration 660: trace = 2.412631099495444 (4.30088e-07% change)
- linmin: converged after 4 iterations.
- iteration 661: trace = 2.412631088750692 (4.45354e-07% change)
- linmin: converged after 3 iterations.
- iteration 662: trace = 2.412631085005991 (1.55212e-07% change)
- large trace change predicted (1.39051e-06%)
- linmin: converged after 3 iterations.
- iteration 663: trace = 2.412631051470876 (1.38998e-06% change)
- linmin: converged after 8 iterations.
- iteration 664: trace = 2.412631044534053 (2.87521e-07% change)
- large trace change predicted (1.23614e-06%)
- linmin: converged after 4 iterations.
- iteration 665: trace = 2.412631014718941 (1.23579e-06% change)
- linmin: converged after 3 iterations.
- iteration 666: trace = 2.41263100083395 (5.75512e-07% change)
- linmin: converged after 3 iterations.
- iteration 667: trace = 2.412630991920331 (3.69456e-07% change)
- linmin: converged after 3 iterations.
- iteration 668: trace = 2.412630983382888 (3.53864e-07% change)
- linmin: converged after 3 iterations.
- iteration 669: trace = 2.412630972064142 (4.69145e-07% change)
- linmin: converged after 4 iterations.
- iteration 670: trace = 2.412630969681539 (9.87554e-08% change)
- large trace change predicted (5.38462e-07%)
- linmin: converged after 3 iterations.
- iteration 671: trace = 2.412630956692355 (5.38383e-07% change)
- linmin: converged after 4 iterations.
- iteration 672: trace = 2.412630950687375 (2.48898e-07% change)
- linmin: converged after 3 iterations.
- iteration 673: trace = 2.412630946401386 (1.77648e-07% change)
- linmin: converged after 9 iterations.
- iteration 674: trace = 2.41263094178895 (1.91179e-07% change)
- linmin: converged after 24 iterations.
- iteration 675: trace = 2.412630934478377 (3.03012e-07% change)
- linmin: converged after 4 iterations.
- iteration 676: trace = 2.412630933127947 (5.59733e-08% change)
- large trace change predicted (3.44664e-07%)
- linmin: converged after 6 iterations.
- iteration 677: trace = 2.412630924812629 (3.44658e-07% change)
- linmin: converged after 7 iterations.
- iteration 678: trace = 2.412630919927929 (2.02464e-07% change)
- linmin: converged after 3 iterations.
- iteration 679: trace = 2.41263091635969 (1.47898e-07% change)
- linmin: converged after 23 iterations.
- iteration 680: trace = 2.412630910426177 (2.45935e-07% change)
- linmin: converged after 24 iterations.
- iteration 681: trace = 2.412630901972597 (3.50388e-07% change)
- linmin: converged after 3 iterations.
- iteration 682: trace = 2.412630897961046 (1.66273e-07% change)
- large trace change predicted (5.35305e-07%)
- linmin: converged after 3 iterations.
- iteration 683: trace = 2.412630885046321 (5.35296e-07% change)
- linmin: converged after 4 iterations.
- iteration 684: trace = 2.412630878513609 (2.70771e-07% change)
- large trace change predicted (9.49463e-07%)
- linmin: converged after 18 iterations.
- iteration 685: trace = 2.412630855606361 (9.49472e-07% change)
- linmin: converged after 19 iterations.
- iteration 686: trace = 2.412630840618719 (6.21216e-07% change)
- linmin: converged after 3 iterations.
- iteration 687: trace = 2.412630829084438 (4.78079e-07% change)
- large trace change predicted (1.5255e-06%)
- linmin: converged after 4 iterations.
- iteration 688: trace = 2.412630792274733 (1.52571e-06% change)
- linmin: converged after 16 iterations.
- iteration 689: trace = 2.412630775594847 (6.91357e-07% change)
- linmin: converged after 27 iterations.
- iteration 690: trace = 2.412630758540615 (7.06873e-07% change)
- linmin: converged after 5 iterations.
- iteration 691: trace = 2.412630748164281 (4.30084e-07% change)
- linmin: converged after 20 iterations.
- iteration 692: trace = 2.412630739295457 (3.676e-07% change)
- linmin: converged after 12 iterations.
- iteration 693: trace = 2.412630734745228 (1.886e-07% change)
- linmin: converged after 24 iterations.
- iteration 694: trace = 2.412630725898428 (3.66687e-07% change)
- linmin: converged after 2 iterations.
- iteration 695: trace = 2.412630722953378 (1.22068e-07% change)
- linmin: converged after 3 iterations.
- iteration 696: trace = 2.412630717528356 (2.24859e-07% change)
- linmin: converged after 3 iterations.
- iteration 697: trace = 2.412630712908632 (1.91481e-07% change)
- linmin: converged after 3 iterations.
- iteration 698: trace = 2.412630708134426 (1.97884e-07% change)
- linmin: converged after 19 iterations.
- iteration 699: trace = 2.412630705452566 (1.11159e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 700: trace = 2.412630702900199 (1.05792e-07% change)
- linmin: converged after 7 iterations.
- iteration 701: trace = 2.412630698721329 (1.73208e-07% change)
- linmin: converged after 7 iterations.
- iteration 702: trace = 2.412630694195756 (1.87578e-07% change)
- linmin: converged after 20 iterations.
- iteration 703: trace = 2.412630691729648 (1.02217e-07% change)
- large trace change predicted (2.11554e-07%)
- linmin: converged after 3 iterations.
- iteration 704: trace = 2.412630686625747 (2.11549e-07% change)
- linmin: converged after 3 iterations.
- iteration 705: trace = 2.412630679417385 (2.98776e-07% change)
- linmin: converged after 4 iterations.
- iteration 706: trace = 2.412630676464367 (1.22398e-07% change)
- large trace change predicted (3.35451e-07%)
- linmin: converged after 15 iterations.
- iteration 707: trace = 2.412630668371055 (3.35456e-07% change)
- linmin: converged after 26 iterations.
- iteration 708: trace = 2.412630660066947 (3.44193e-07% change)
- linmin: converged after 21 iterations.
- iteration 709: trace = 2.412630655300423 (1.97565e-07% change)
- large trace change predicted (9.85635e-07%)
- linmin: converged after 5 iterations.
- iteration 710: trace = 2.412630631521224 (9.85613e-07% change)
- linmin: converged after 3 iterations.
- iteration 711: trace = 2.412630608200811 (9.66597e-07% change)
- linmin: converged after 4 iterations.
- iteration 712: trace = 2.412630595400104 (5.30571e-07% change)
- linmin: converged after 5 iterations.
- iteration 713: trace = 2.412630583487556 (4.93758e-07% change)
- linmin: converged after 21 iterations.
- iteration 714: trace = 2.412630570397255 (5.42574e-07% change)
- linmin: converged after 2 iterations.
- iteration 715: trace = 2.412630561316741 (3.76374e-07% change)
- linmin: converged after 3 iterations.
- iteration 716: trace = 2.412630551927635 (3.89165e-07% change)
- linmin: converged after 10 iterations.
- iteration 717: trace = 2.412630549969792 (8.11497e-08% change)
- large trace change predicted (2.62939e-07%)
- linmin: converged after 3 iterations.
- iteration 718: trace = 2.412630543625931 (2.62944e-07% change)
- linmin: converged after 7 iterations.
- iteration 719: trace = 2.41263053932054 (1.78452e-07% change)
- linmin: converged after 4 iterations.
- iteration 720: trace = 2.412630537377462 (8.05377e-08% change)
- linmin: converged after 7 iterations.
- iteration 721: trace = 2.412630534065912 (1.37259e-07% change)
- linmin: converged after 4 iterations.
- iteration 722: trace = 2.412630529173448 (2.02785e-07% change)
- linmin: converged after 4 iterations.
- iteration 723: trace = 2.412630527477726 (7.02852e-08% change)
- large trace change predicted (1.68396e-07%)
- linmin: converged after 19 iterations.
- iteration 724: trace = 2.412630523414882 (1.68399e-07% change)
- linmin: converged after 5 iterations.
- iteration 725: trace = 2.412630520770119 (1.09622e-07% change)
- linmin: converged after 6 iterations.
- iteration 726: trace = 2.412630519124897 (6.8192e-08% change)
- large trace change predicted (2.48063e-07%)
- linmin: converged after 17 iterations.
- iteration 727: trace = 2.412630513139425 (2.48089e-07% change)
- linmin: converged after 3 iterations.
- iteration 728: trace = 2.412630511876392 (5.23509e-08% change)
- large trace change predicted (2.20921e-07%)
- linmin: converged after 3 iterations.
- iteration 729: trace = 2.412630506545948 (2.20939e-07% change)
- linmin: converged after 3 iterations.
- iteration 730: trace = 2.412630500855044 (2.3588e-07% change)
- linmin: converged after 9 iterations.
- iteration 731: trace = 2.412630493746356 (2.94645e-07% change)
- linmin: converged after 3 iterations.
- iteration 732: trace = 2.412630490600628 (1.30386e-07% change)
- large trace change predicted (3.55075e-07%)
- linmin: converged after 15 iterations.
- iteration 733: trace = 2.412630482033123 (3.55111e-07% change)
- linmin: converged after 6 iterations.
- iteration 734: trace = 2.412630467997332 (5.81763e-07% change)
- linmin: converged after 13 iterations.
- iteration 735: trace = 2.412630461475286 (2.70329e-07% change)
- large trace change predicted (8.04978e-07%)
- linmin: converged after 5 iterations.
- iteration 736: trace = 2.412630442046265 (8.05304e-07% change)
- linmin: converged after 6 iterations.
- iteration 737: trace = 2.412630438149124 (1.61531e-07% change)
- linmin: converged after 28 iterations.
- iteration 738: trace = 2.412630434604044 (1.46938e-07% change)
- large trace change predicted (3.61263e-07%)
- linmin: converged after 5 iterations.
- iteration 739: trace = 2.412630425887123 (3.61304e-07% change)
- linmin: converged after 22 iterations.
- iteration 740: trace = 2.412630424476987 (5.84481e-08% change)
- large trace change predicted (1.66958e-07%)
- linmin: converged after 23 iterations.
- iteration 741: trace = 2.412630420448752 (1.66964e-07% change)
- linmin: converged after 23 iterations.
- iteration 742: trace = 2.412630416581729 (1.60282e-07% change)
- linmin: converged after 3 iterations.
- iteration 743: trace = 2.412630415566934 (4.20618e-08% change)
- large trace change predicted (9.5054e-08%)
- linmin: converged after 26 iterations.
- iteration 744: trace = 2.412630413273622 (9.50544e-08% change)
- linmin: converged after 8 iterations.
- iteration 745: trace = 2.412630409750568 (1.46025e-07% change)
- linmin: converged after 4 iterations.
- iteration 746: trace = 2.412630408899045 (3.52944e-08% change)
- large trace change predicted (1.74437e-07%)
- linmin: converged after 2 iterations.
- iteration 747: trace = 2.412630404690509 (1.74438e-07% change)
- linmin: converged after 3 iterations.
- iteration 748: trace = 2.412630402828781 (7.71659e-08% change)
- linmin: converged after 5 iterations.
- iteration 749: trace = 2.41263040125073 (6.54079e-08% change)
- linmin: converged after 2 iterations.
- iteration 750: trace = 2.412630398787035 (1.02117e-07% change)
- linmin: converged after 8 iterations.
- iteration 751: trace = 2.412630396692446 (8.68176e-08% change)
- linmin: converged after 4 iterations.
- iteration 752: trace = 2.412630393831708 (1.18573e-07% change)
- linmin: converged after 6 iterations.
- iteration 753: trace = 2.412630388799679 (2.0857e-07% change)
- linmin: converged after 4 iterations.
- iteration 754: trace = 2.412630386543187 (9.35283e-08% change)
- large trace change predicted (2.19226e-07%)
- linmin: converged after 5 iterations.
- iteration 755: trace = 2.412630381254233 (2.19219e-07% change)
- linmin: converged after 4 iterations.
- iteration 756: trace = 2.412630372666863 (3.55934e-07% change)
- linmin: converged after 7 iterations.
- iteration 757: trace = 2.412630369953678 (1.12458e-07% change)
- large trace change predicted (5.4323e-07%)
- linmin: converged after 4 iterations.
- iteration 758: trace = 2.412630356847925 (5.43214e-07% change)
- linmin: converged after 4 iterations.
- iteration 759: trace = 2.412630345477035 (4.71307e-07% change)
- linmin: converged after 4 iterations.
- iteration 760: trace = 2.412630343402828 (8.59728e-08% change)
- large trace change predicted (3.18989e-07%)
- linmin: converged after 3 iterations.
- iteration 761: trace = 2.412630335707014 (3.1898e-07% change)
- linmin: converged after 3 iterations.
- iteration 762: trace = 2.412630333198186 (1.03987e-07% change)
- linmin: converged after 19 iterations.
- iteration 763: trace = 2.412630331974383 (5.07248e-08% change)
- large trace change predicted (1.87012e-07%)
- linmin: converged after 3 iterations.
- iteration 764: trace = 2.41263032746255 (1.87009e-07% change)
- linmin: converged after 4 iterations.
- iteration 765: trace = 2.412630326563659 (3.72577e-08% change)
- large trace change predicted (9.19309e-08%)
- linmin: converged after 10 iterations.
- iteration 766: trace = 2.412630324345699 (9.19312e-08% change)
- linmin: converged after 4 iterations.
- iteration 767: trace = 2.412630322187022 (8.9474e-08% change)
- linmin: converged after 10 iterations.
- iteration 768: trace = 2.412630321514101 (2.78916e-08% change)
- large trace change predicted (7.72777e-08%)
- linmin: converged after 7 iterations.
- iteration 769: trace = 2.412630319649701 (7.72767e-08% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 770: trace = 2.412630317868127 (7.38436e-08% change)
- linmin: converged after 3 iterations.
- iteration 771: trace = 2.412630317237427 (2.61416e-08% change)
- large trace change predicted (8.7879e-08%)
- linmin: converged after 26 iterations.
- iteration 772: trace = 2.412630315117234 (8.78789e-08% change)
- linmin: converged after 4 iterations.
- iteration 773: trace = 2.412630313020271 (8.69161e-08% change)
- linmin: converged after 5 iterations.
- iteration 774: trace = 2.412630312173231 (3.51085e-08% change)
- large trace change predicted (1.58423e-07%)
- linmin: converged after 2 iterations.
- iteration 775: trace = 2.412630308351077 (1.58423e-07% change)
- linmin: converged after 3 iterations.
- iteration 776: trace = 2.412630306755297 (6.61427e-08% change)
- linmin: converged after 6 iterations.
- iteration 777: trace = 2.412630305150861 (6.65015e-08% change)
- large trace change predicted (3.1318e-07%)
- linmin: converged after 9 iterations.
- iteration 778: trace = 2.412630297594885 (3.13184e-07% change)
- linmin: converged after 11 iterations.
- iteration 779: trace = 2.412630296100234 (6.19511e-08% change)
- large trace change predicted (3.95827e-07%)
- linmin: converged after 3 iterations.
- iteration 780: trace = 2.412630286550218 (3.95834e-07% change)
- linmin: converged after 7 iterations.
- iteration 781: trace = 2.412630279542905 (2.90443e-07% change)
- linmin: converged after 3 iterations.
- iteration 782: trace = 2.412630275350564 (1.73766e-07% change)
- linmin: converged after 3 iterations.
- iteration 783: trace = 2.412630269668914 (2.35496e-07% change)
- linmin: converged after 19 iterations.
- iteration 784: trace = 2.412630262832058 (2.83378e-07% change)
- linmin: converged after 4 iterations.
- iteration 785: trace = 2.412630261446174 (5.74428e-08% change)
- large trace change predicted (1.87201e-07%)
- linmin: converged after 9 iterations.
- iteration 786: trace = 2.412630256929665 (1.87203e-07% change)
- linmin: converged after 9 iterations.
- iteration 787: trace = 2.412630254537486 (9.91523e-08% change)
- linmin: converged after 3 iterations.
- iteration 788: trace = 2.412630253518343 (4.2242e-08% change)
- linmin: converged after 19 iterations.
- iteration 789: trace = 2.412630251920914 (6.62111e-08% change)
- linmin: converged after 8 iterations.
- iteration 790: trace = 2.41263024910309 (1.16795e-07% change)
- linmin: converged after 4 iterations.
- iteration 791: trace = 2.412630248726472 (1.56103e-08% change)
- large trace change predicted (1.09238e-07%)
- linmin: converged after 9 iterations.
- iteration 792: trace = 2.412630246091002 (1.09236e-07% change)
- linmin: converged after 3 iterations.
- iteration 793: trace = 2.412630244922155 (4.8447e-08% change)
- linmin: converged after 18 iterations.
- iteration 794: trace = 2.412630244232069 (2.8603e-08% change)
- large trace change predicted (1.34397e-07%)
- linmin: converged after 3 iterations.
- iteration 795: trace = 2.412630240989678 (1.34392e-07% change)
- linmin: converged after 4 iterations.
- iteration 796: trace = 2.412630240262083 (3.01578e-08% change)
- large trace change predicted (1.1302e-07%)
- linmin: converged after 3 iterations.
- iteration 797: trace = 2.412630237535456 (1.13015e-07% change)
- linmin: converged after 5 iterations.
- iteration 798: trace = 2.412630234820691 (1.12523e-07% change)
- linmin: converged after 3 iterations.
- iteration 799: trace = 2.41263023377728 (4.32478e-08% change)
- large trace change predicted (1.02522e-07%)
- linmin: converged after 10 iterations.
- iteration 800: trace = 2.41263023130382 (1.02521e-07% change)
- large trace change predicted (2.76893e-07%)
- linmin: converged after 5 iterations.
- iteration 801: trace = 2.412630224624287 (2.76857e-07% change)
- linmin: converged after 17 iterations.
- iteration 802: trace = 2.412630222255615 (9.8178e-08% change)
- large trace change predicted (4.92994e-07%)
- linmin: converged after 4 iterations.
- iteration 803: trace = 2.412630210364647 (4.92863e-07% change)
- linmin: converged after 3 iterations.
- iteration 804: trace = 2.412630200433205 (4.11644e-07% change)
- linmin: converged after 28 iterations.
- iteration 805: trace = 2.412630195941604 (1.8617e-07% change)
- linmin: converged after 4 iterations.
- iteration 806: trace = 2.412630193608453 (9.67057e-08% change)
- large trace change predicted (2.60639e-07%)
- linmin: converged after 5 iterations.
- iteration 807: trace = 2.412630187320838 (2.60612e-07% change)
- linmin: converged after 4 iterations.
- iteration 808: trace = 2.412630183176117 (1.71793e-07% change)
- linmin: converged after 4 iterations.
- iteration 809: trace = 2.412630182068422 (4.59124e-08% change)
- large trace change predicted (1.43362e-07%)
- linmin: converged after 10 iterations.
- iteration 810: trace = 2.412630178609815 (1.43354e-07% change)
- linmin: converged after 21 iterations.
- iteration 811: trace = 2.412630177234165 (5.70187e-08% change)
- linmin: converged after 18 iterations.
- iteration 812: trace = 2.412630176226698 (4.17581e-08% change)
- large trace change predicted (1.13102e-07%)
- linmin: converged after 4 iterations.
- iteration 813: trace = 2.412630173498098 (1.13096e-07% change)
- linmin: converged after 11 iterations.
- iteration 814: trace = 2.412630172429498 (4.42919e-08% change)
- large trace change predicted (9.31313e-08%)
- linmin: converged after 6 iterations.
- iteration 815: trace = 2.412630170182694 (9.31268e-08% change)
- linmin: converged after 7 iterations.
- iteration 816: trace = 2.412630168425175 (7.28466e-08% change)
- linmin: converged after 7 iterations.
- iteration 817: trace = 2.412630167335922 (4.5148e-08% change)
- linmin: converged after 34 iterations.
- iteration 818: trace = 2.4126301655405 (7.44176e-08% change)
- linmin: converged after 4 iterations.
- iteration 819: trace = 2.412630162508688 (1.25664e-07% change)
- linmin: converged after 6 iterations.
- iteration 820: trace = 2.412630161403833 (4.57946e-08% change)
- large trace change predicted (1.57552e-07%)
- linmin: converged after 3 iterations.
- iteration 821: trace = 2.412630157602701 (1.57551e-07% change)
- linmin: converged after 3 iterations.
- iteration 822: trace = 2.412630155205343 (9.9367e-08% change)
- linmin: converged after 13 iterations.
- iteration 823: trace = 2.412630152160419 (1.26208e-07% change)
- linmin: converged after 10 iterations.
- iteration 824: trace = 2.412630146434432 (2.37334e-07% change)
- linmin: converged after 7 iterations.
- iteration 825: trace = 2.412630140606383 (2.41564e-07% change)
- linmin: converged after 3 iterations.
- iteration 826: trace = 2.412630136110739 (1.86338e-07% change)
- large trace change predicted (6.51358e-07%)
- linmin: converged after 22 iterations.
- iteration 827: trace = 2.412630120394821 (6.51402e-07% change)
- linmin: converged after 13 iterations.
- iteration 828: trace = 2.412630118507895 (7.82103e-08% change)
- large trace change predicted (2.9953e-07%)
- linmin: converged after 19 iterations.
- iteration 829: trace = 2.412630111281268 (2.99533e-07% change)
- linmin: converged after 24 iterations.
- iteration 830: trace = 2.412630105783522 (2.27874e-07% change)
- linmin: converged after 16 iterations.
- iteration 831: trace = 2.412630103763826 (8.37134e-08% change)
- linmin: converged after 3 iterations.
- iteration 832: trace = 2.412630100578352 (1.32033e-07% change)
- linmin: converged after 3 iterations.
- iteration 833: trace = 2.412630097388273 (1.32224e-07% change)
- linmin: converged after 3 iterations.
- iteration 834: trace = 2.412630096662051 (3.01008e-08% change)
- large trace change predicted (1.06026e-07%)
- linmin: converged after 3 iterations.
- iteration 835: trace = 2.412630094104007 (1.06027e-07% change)
- linmin: converged after 4 iterations.
- iteration 836: trace = 2.412630093020168 (4.49236e-08% change)
- linmin: converged after 4 iterations.
- iteration 837: trace = 2.412630091649397 (5.68165e-08% change)
- linmin: converged after 3 iterations.
- iteration 838: trace = 2.412630090038643 (6.67634e-08% change)
- large trace change predicted (1.85395e-07%)
- linmin: converged after 5 iterations.
- iteration 839: trace = 2.412630085565559 (1.85403e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 840: trace = 2.41263008151028 (1.68085e-07% change)
- linmin: converged after 2 iterations.
- iteration 841: trace = 2.412630079878606 (6.76305e-08% change)
- linmin: converged after 4 iterations.
- iteration 842: trace = 2.412630078477312 (5.80816e-08% change)
- linmin: converged after 9 iterations.
- iteration 843: trace = 2.412630077511205 (4.00437e-08% change)
- large trace change predicted (1.0145e-07%)
- linmin: converged after 4 iterations.
- iteration 844: trace = 2.412630075063618 (1.01449e-07% change)
- linmin: converged after 13 iterations.
- iteration 845: trace = 2.412630074286727 (3.2201e-08% change)
- large trace change predicted (8.56865e-08%)
- linmin: converged after 3 iterations.
- iteration 846: trace = 2.412630072219485 (8.56842e-08% change)
- linmin: converged after 7 iterations.
- iteration 847: trace = 2.412630069692656 (1.04733e-07% change)
- linmin: converged after 3 iterations.
- iteration 848: trace = 2.412630068370095 (5.48183e-08% change)
- large trace change predicted (1.5323e-07%)
- linmin: converged after 4 iterations.
- iteration 849: trace = 2.412630064673256 (1.53229e-07% change)
- large trace change predicted (3.21858e-07%)
- linmin: converged after 7 iterations.
- iteration 850: trace = 2.412630056908164 (3.21852e-07% change)
- linmin: converged after 4 iterations.
- iteration 851: trace = 2.41263005546774 (5.97035e-08% change)
- large trace change predicted (4.3889e-07%)
- linmin: converged after 11 iterations.
- iteration 852: trace = 2.412630044879021 (4.38887e-07% change)
- linmin: converged after 10 iterations.
- iteration 853: trace = 2.412630040042149 (2.00481e-07% change)
- linmin: converged after 8 iterations.
- iteration 854: trace = 2.412630037298545 (1.13718e-07% change)
- linmin: converged after 7 iterations.
- iteration 855: trace = 2.412630032813382 (1.85903e-07% change)
- linmin: converged after 4 iterations.
- iteration 856: trace = 2.412630029399109 (1.41517e-07% change)
- linmin: converged after 2 iterations.
- iteration 857: trace = 2.412630028212164 (4.91971e-08% change)
- linmin: converged after 18 iterations.
- iteration 858: trace = 2.412630026220737 (8.25417e-08% change)
- linmin: converged after 16 iterations.
- iteration 859: trace = 2.412630024819416 (5.80827e-08% change)
- linmin: converged after 14 iterations.
- iteration 860: trace = 2.412630024026551 (3.28631e-08% change)
- linmin: converged after 3 iterations.
- iteration 861: trace = 2.412630022553406 (6.10597e-08% change)
- linmin: converged after 3 iterations.
- iteration 862: trace = 2.41263002171375 (3.48025e-08% change)
- linmin: converged after 9 iterations.
- iteration 863: trace = 2.412630020152418 (6.4715e-08% change)
- linmin: converged after 16 iterations.
- iteration 864: trace = 2.412630019147033 (4.16717e-08% change)
- linmin: converged after 6 iterations.
- iteration 865: trace = 2.41263001848697 (2.73587e-08% change)
- linmin: converged after 3 iterations.
- iteration 866: trace = 2.41263001729565 (4.93785e-08% change)
- linmin: converged after 26 iterations.
- iteration 867: trace = 2.412630015476 (7.54219e-08% change)
- linmin: converged after 3 iterations.
- iteration 868: trace = 2.412630014722096 (3.12482e-08% change)
- large trace change predicted (7.86228e-08%)
- linmin: converged after 23 iterations.
- iteration 869: trace = 2.412630012825134 (7.86263e-08% change)
- linmin: converged after 6 iterations.
- iteration 870: trace = 2.412630011092031 (7.18346e-08% change)
- linmin: converged after 3 iterations.
- iteration 871: trace = 2.412630010196684 (3.71108e-08% change)
- large trace change predicted (9.56084e-08%)
- linmin: converged after 21 iterations.
- iteration 872: trace = 2.412630007889925 (9.56118e-08% change)
- linmin: converged after 14 iterations.
- iteration 873: trace = 2.412630004057833 (1.58835e-07% change)
- linmin: converged after 5 iterations.
- iteration 874: trace = 2.412630000345374 (1.53876e-07% change)
- linmin: converged after 3 iterations.
- iteration 875: trace = 2.412629996960273 (1.40308e-07% change)
- linmin: converged after 4 iterations.
- iteration 876: trace = 2.41262999182819 (2.12717e-07% change)
- linmin: converged after 3 iterations.
- iteration 877: trace = 2.41262998997961 (7.6621e-08% change)
- linmin: converged after 7 iterations.
- iteration 878: trace = 2.412629987744847 (9.26277e-08% change)
- linmin: converged after 5 iterations.
- iteration 879: trace = 2.41262998472488 (1.25173e-07% change)
- linmin: converged after 4 iterations.
- iteration 880: trace = 2.41262998388736 (3.4714e-08% change)
- large trace change predicted (7.91859e-08%)
- linmin: converged after 4 iterations.
- iteration 881: trace = 2.412629981976823 (7.9189e-08% change)
- linmin: converged after 2 iterations.
- iteration 882: trace = 2.412629981234265 (3.07779e-08% change)
- linmin: converged after 4 iterations.
- iteration 883: trace = 2.41262998053784 (2.88658e-08% change)
- linmin: converged after 4 iterations.
- iteration 884: trace = 2.412629979558923 (4.05747e-08% change)
- linmin: converged after 3 iterations.
- iteration 885: trace = 2.412629978925704 (2.6246e-08% change)
- linmin: converged after 20 iterations.
- iteration 886: trace = 2.412629978009389 (3.79799e-08% change)
- linmin: converged after 2 iterations.
- iteration 887: trace = 2.412629976503111 (6.2433e-08% change)
- linmin: converged after 6 iterations.
- iteration 888: trace = 2.412629976306796 (8.13697e-09% change)
- large trace change predicted (3.06396e-08%)
- linmin: converged after 4 iterations.
- iteration 889: trace = 2.412629975567579 (3.06395e-08% change)
- linmin: converged after 4 iterations.
- iteration 890: trace = 2.412629974494204 (4.44898e-08% change)
- linmin: converged after 7 iterations.
- iteration 891: trace = 2.412629974274471 (9.10762e-09% change)
- large trace change predicted (7.08135e-08%)
- linmin: converged after 3 iterations.
- iteration 892: trace = 2.41262997256604 (7.0812e-08% change)
- linmin: converged after 13 iterations.
- iteration 893: trace = 2.412629971667166 (3.7257e-08% change)
- linmin: converged after 9 iterations.
- iteration 894: trace = 2.412629970211166 (6.03491e-08% change)
- linmin: converged after 3 iterations.
- iteration 895: trace = 2.4126299675696 (1.09489e-07% change)
- linmin: converged after 4 iterations.
- iteration 896: trace = 2.412629966679517 (3.68926e-08% change)
- large trace change predicted (9.2062e-08%)
- linmin: converged after 16 iterations.
- iteration 897: trace = 2.412629964458456 (9.20598e-08% change)
- linmin: converged after 4 iterations.
- iteration 898: trace = 2.412629960107839 (1.80327e-07% change)
- linmin: converged after 4 iterations.
- iteration 899: trace = 2.412629956681058 (1.42035e-07% change)
- linmin: converged after 17 iterations.
- iteration 900: trace = 2.412629955568261 (4.61238e-08% change)
- large trace change predicted (1.24164e-07%)
- linmin: converged after 3 iterations.
- iteration 901: trace = 2.412629952572671 (1.24163e-07% change)
- linmin: converged after 7 iterations.
- iteration 902: trace = 2.41262995211164 (1.91091e-08% change)
- linmin: converged after 4 iterations.
- iteration 903: trace = 2.412629951351644 (3.15007e-08% change)
- linmin: converged after 4 iterations.
- iteration 904: trace = 2.412629949860268 (6.18154e-08% change)
- linmin: converged after 4 iterations.
- iteration 905: trace = 2.412629949640863 (9.094e-09% change)
- large trace change predicted (4.08356e-08%)
- linmin: converged after 4 iterations.
- iteration 906: trace = 2.412629948655661 (4.08352e-08% change)
- linmin: converged after 3 iterations.
- iteration 907: trace = 2.412629948000308 (2.71634e-08% change)
- linmin: converged after 3 iterations.
- iteration 908: trace = 2.412629947791989 (8.63451e-09% change)
- large trace change predicted (2.62099e-08%)
- linmin: converged after 3 iterations.
- iteration 909: trace = 2.412629947159648 (2.62096e-08% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 910: trace = 2.412629946603579 (2.30482e-08% change)
- linmin: converged after 18 iterations.
- iteration 911: trace = 2.412629946430211 (7.18585e-09% change)
- large trace change predicted (2.97514e-08%)
- linmin: converged after 4 iterations.
- iteration 912: trace = 2.412629945712421 (2.97514e-08% change)
- linmin: converged after 4 iterations.
- iteration 913: trace = 2.412629945037566 (2.79718e-08% change)
- linmin: converged after 4 iterations.
- iteration 914: trace = 2.412629944635202 (1.66774e-08% change)
- large trace change predicted (5.89224e-08%)
- linmin: converged after 29 iterations.
- iteration 915: trace = 2.412629943213624 (5.89224e-08% change)
- linmin: converged after 28 iterations.
- iteration 916: trace = 2.412629942673241 (2.23981e-08% change)
- linmin: converged after 37 iterations.
- iteration 917: trace = 2.412629942084224 (2.44139e-08% change)
- large trace change predicted (1.08341e-07%)
- linmin: converged after 3 iterations.
- iteration 918: trace = 2.412629939470376 (1.0834e-07% change)
- linmin: converged after 12 iterations.
- iteration 919: trace = 2.412629939024025 (1.85006e-08% change)
- large trace change predicted (1.45008e-07%)
- linmin: converged after 36 iterations.
- iteration 920: trace = 2.412629935525507 (1.45008e-07% change)
- linmin: converged after 35 iterations.
- iteration 921: trace = 2.412629933133675 (9.9138e-08% change)
- linmin: converged after 33 iterations.
- iteration 922: trace = 2.412629931939856 (4.94821e-08% change)
- linmin: converged after 6 iterations.
- iteration 923: trace = 2.412629929684806 (9.34685e-08% change)
- linmin: converged after 3 iterations.
- iteration 924: trace = 2.412629927522294 (8.9633e-08% change)
- linmin: converged after 3 iterations.
- iteration 925: trace = 2.412629926960233 (2.32966e-08% change)
- large trace change predicted (6.17147e-08%)
- linmin: converged after 4 iterations.
- iteration 926: trace = 2.412629925471272 (6.17153e-08% change)
- linmin: converged after 3 iterations.
- iteration 927: trace = 2.412629924752712 (2.97833e-08% change)
- linmin: converged after 18 iterations.
- iteration 928: trace = 2.412629924340847 (1.70712e-08% change)
- linmin: converged after 25 iterations.
- iteration 929: trace = 2.412629923690569 (2.69531e-08% change)
- linmin: converged after 3 iterations.
- iteration 930: trace = 2.412629922606678 (4.49257e-08% change)
- linmin: converged after 4 iterations.
- iteration 931: trace = 2.412629922381308 (9.34124e-09% change)
- large trace change predicted (2.78896e-08%)
- linmin: converged after 3 iterations.
- iteration 932: trace = 2.412629921708441 (2.78894e-08% change)
- linmin: converged after 2 iterations.
- iteration 933: trace = 2.41262992104805 (2.73722e-08% change)
- linmin: converged after 3 iterations.
- iteration 934: trace = 2.412629920845703 (8.38699e-09% change)
- large trace change predicted (4.79543e-08%)
- linmin: converged after 4 iterations.
- iteration 935: trace = 2.412629919688754 (4.79538e-08% change)
- linmin: converged after 4 iterations.
- iteration 936: trace = 2.412629919114845 (2.37877e-08% change)
- linmin: converged after 2 iterations.
- iteration 937: trace = 2.412629918511692 (2.49998e-08% change)
- large trace change predicted (5.65366e-08%)
- linmin: converged after 5 iterations.
- iteration 938: trace = 2.412629917147718 (5.65348e-08% change)
- linmin: converged after 2 iterations.
- iteration 939: trace = 2.412629916739739 (1.69101e-08% change)
- large trace change predicted (3.49757e-08%)
- linmin: converged after 6 iterations.
- iteration 940: trace = 2.412629915895912 (3.49754e-08% change)
- large trace change predicted (1.03946e-07%)
- linmin: converged after 25 iterations.
- iteration 941: trace = 2.412629913388183 (1.03942e-07% change)
- linmin: converged after 14 iterations.
- iteration 942: trace = 2.412629911739267 (6.83452e-08% change)
- large trace change predicted (1.3842e-07%)
- linmin: converged after 14 iterations.
- iteration 943: trace = 2.412629908400014 (1.38407e-07% change)
- linmin: converged after 4 iterations.
- iteration 944: trace = 2.412629905801034 (1.07724e-07% change)
- linmin: converged after 3 iterations.
- iteration 945: trace = 2.412629904539625 (5.22836e-08% change)
- linmin: converged after 6 iterations.
- iteration 946: trace = 2.412629902658073 (7.79876e-08% change)
- linmin: converged after 5 iterations.
- iteration 947: trace = 2.412629900580813 (8.60994e-08% change)
- linmin: converged after 4 iterations.
- iteration 948: trace = 2.412629899923036 (2.72639e-08% change)
- linmin: converged after 17 iterations.
- iteration 949: trace = 2.412629898704476 (5.05076e-08% change)
- linmin: converged after 3 iterations.
- iteration 950: trace = 2.412629897638364 (4.41888e-08% change)
- linmin: converged after 10 iterations.
- iteration 951: trace = 2.412629897314533 (1.34223e-08% change)
- linmin: converged after 3 iterations.
- iteration 952: trace = 2.412629896768283 (2.26413e-08% change)
- linmin: converged after 3 iterations.
- iteration 953: trace = 2.412629895711747 (4.37919e-08% change)
- linmin: converged after 6 iterations.
- iteration 954: trace = 2.412629895548865 (6.75123e-09% change)
- large trace change predicted (4.65758e-08%)
- linmin: converged after 9 iterations.
- iteration 955: trace = 2.412629894425191 (4.65747e-08% change)
- linmin: converged after 3 iterations.
- iteration 956: trace = 2.412629893390733 (4.28768e-08% change)
- linmin: converged after 24 iterations.
- iteration 957: trace = 2.412629893120608 (1.11963e-08% change)
- linmin: converged after 3 iterations.
- iteration 958: trace = 2.41262989263121 (2.02848e-08% change)
- large trace change predicted (4.44366e-08%)
- linmin: converged after 27 iterations.
- iteration 959: trace = 2.412629891559116 (4.44368e-08% change)
- linmin: converged after 4 iterations.
- iteration 960: trace = 2.412629891263049 (1.22716e-08% change)
- large trace change predicted (4.97846e-08%)
- linmin: converged after 4 iterations.
- iteration 961: trace = 2.41262989006193 (4.97846e-08% change)
- linmin: converged after 28 iterations.
- iteration 962: trace = 2.412629888406727 (6.86058e-08% change)
- linmin: converged after 3 iterations.
- iteration 963: trace = 2.412629887741038 (2.75918e-08% change)
- large trace change predicted (9.7619e-08%)
- linmin: converged after 6 iterations.
- iteration 964: trace = 2.412629885385868 (9.76184e-08% change)
- linmin: converged after 9 iterations.
- iteration 965: trace = 2.412629883467717 (7.95046e-08% change)
- linmin: converged after 16 iterations.
- iteration 966: trace = 2.412629881976846 (6.17944e-08% change)
- large trace change predicted (2.09176e-07%)
- linmin: converged after 23 iterations.
- iteration 967: trace = 2.412629876930009 (2.09184e-07% change)
- linmin: converged after 5 iterations.
- iteration 968: trace = 2.412629875543301 (5.7477e-08% change)
- linmin: converged after 23 iterations.
- iteration 969: trace = 2.412629873599101 (8.05842e-08% change)
- linmin: converged after 2 iterations.
- iteration 970: trace = 2.412629872166236 (5.93902e-08% change)
- linmin: converged after 6 iterations.
- iteration 971: trace = 2.412629871567043 (2.48357e-08% change)
- linmin: converged after 3 iterations.
- iteration 972: trace = 2.412629870410906 (4.79202e-08% change)
- linmin: converged after 3 iterations.
- iteration 973: trace = 2.412629869348892 (4.40189e-08% change)
- linmin: converged after 4 iterations.
- iteration 974: trace = 2.412629869132651 (8.96287e-09% change)
- large trace change predicted (3.83009e-08%)
- linmin: converged after 3 iterations.
- iteration 975: trace = 2.412629868208587 (3.83011e-08% change)
- linmin: converged after 17 iterations.
- iteration 976: trace = 2.412629867508941 (2.89993e-08% change)
- linmin: converged after 4 iterations.
- iteration 977: trace = 2.41262986714653 (1.50214e-08% change)
- large trace change predicted (3.0632e-08%)
- linmin: converged after 3 iterations.
- iteration 978: trace = 2.412629866407475 (3.06327e-08% change)
- large trace change predicted (1.408e-07%)
- linmin: converged after 7 iterations.
- iteration 979: trace = 2.412629863010455 (1.40802e-07% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 980: trace = 2.412629860052295 (1.22611e-07% change)
- linmin: converged after 3 iterations.
- iteration 981: trace = 2.412629859344464 (2.93386e-08% change)
- linmin: converged after 2 iterations.
- iteration 982: trace = 2.412629858880917 (1.92134e-08% change)
- linmin: converged after 2 iterations.
- iteration 983: trace = 2.412629858276113 (2.50682e-08% change)
- linmin: converged after 4 iterations.
- iteration 984: trace = 2.412629857509056 (3.17934e-08% change)
- linmin: converged after 4 iterations.
- iteration 985: trace = 2.412629857240155 (1.11455e-08% change)
- linmin: converged after 3 iterations.
- iteration 986: trace = 2.41262985674862 (2.03734e-08% change)
- linmin: converged after 3 iterations.
- iteration 987: trace = 2.412629855932325 (3.38342e-08% change)
- linmin: converged after 4 iterations.
- iteration 988: trace = 2.412629855594522 (1.40014e-08% change)
- large trace change predicted (5.93685e-08%)
- linmin: converged after 35 iterations.
- iteration 989: trace = 2.412629854162197 (5.93678e-08% change)
- linmin: converged after 20 iterations.
- iteration 990: trace = 2.41262985235914 (7.47341e-08% change)
- linmin: converged after 16 iterations.
- iteration 991: trace = 2.412629851534124 (3.41957e-08% change)
- large trace change predicted (1.23989e-07%)
- linmin: converged after 5 iterations.
- iteration 992: trace = 2.412629848542833 (1.23985e-07% change)
- linmin: converged after 13 iterations.
- iteration 993: trace = 2.412629847636045 (3.7585e-08% change)
- linmin: converged after 16 iterations.
- iteration 994: trace = 2.412629846375563 (5.22451e-08% change)
- linmin: converged after 4 iterations.
- iteration 995: trace = 2.412629843948068 (1.00616e-07% change)
- linmin: converged after 4 iterations.
- iteration 996: trace = 2.412629843607194 (1.41287e-08% change)
- large trace change predicted (6.7988e-08%)
- linmin: converged after 4 iterations.
- iteration 997: trace = 2.412629841966889 (6.79883e-08% change)
- linmin: converged after 6 iterations.
- iteration 998: trace = 2.412629841440538 (2.18165e-08% change)
- linmin: converged after 4 iterations.
- iteration 999: trace = 2.412629841193702 (1.0231e-08% change)
- large trace change predicted (3.12016e-08%)
- linmin: converged after 6 iterations.
- iteration 1000: trace = 2.412629840440918 (3.12018e-08% change)
- linmin: converged after 4 iterations.
- iteration 1001: trace = 2.412629839886335 (2.29866e-08% change)
- linmin: converged after 4 iterations.
- iteration 1002: trace = 2.412629839727234 (6.59449e-09% change)
- large trace change predicted (3.22075e-08%)
- linmin: converged after 4 iterations.
- iteration 1003: trace = 2.412629838950178 (3.22079e-08% change)
- linmin: converged after 4 iterations.
- iteration 1004: trace = 2.412629838660329 (1.20138e-08% change)
- linmin: converged after 14 iterations.
- iteration 1005: trace = 2.412629838191677 (1.94249e-08% change)
- linmin: converged after 16 iterations.
- iteration 1006: trace = 2.412629838007164 (7.64779e-09% change)
- large trace change predicted (3.11401e-08%)
- linmin: converged after 3 iterations.
- iteration 1007: trace = 2.412629837255847 (3.1141e-08% change)
- linmin: converged after 5 iterations.
- iteration 1008: trace = 2.412629837124343 (5.45064e-09% change)
- large trace change predicted (1.66649e-08%)
- linmin: converged after 3 iterations.
- iteration 1009: trace = 2.41262983672228 (1.66649e-08% change)
- linmin: converged after 13 iterations.
- iteration 1010: trace = 2.412629836093977 (2.60422e-08% change)
- linmin: converged after 4 iterations.
- iteration 1011: trace = 2.412629835782059 (1.29286e-08% change)
- large trace change predicted (3.07177e-08%)
- linmin: converged after 19 iterations.
- iteration 1012: trace = 2.412629835040941 (3.07182e-08% change)
- linmin: converged after 5 iterations.
- iteration 1013: trace = 2.412629833664326 (5.70587e-08% change)
- linmin: converged after 31 iterations.
- iteration 1014: trace = 2.412629833299759 (1.51108e-08% change)
- large trace change predicted (8.95773e-08%)
- linmin: converged after 4 iterations.
- iteration 1015: trace = 2.412629831138368 (8.95865e-08% change)
- linmin: converged after 8 iterations.
- iteration 1016: trace = 2.412629830159918 (4.05553e-08% change)
- linmin: converged after 4 iterations.
- iteration 1017: trace = 2.412629829514783 (2.67399e-08% change)
- large trace change predicted (6.01776e-08%)
- linmin: converged after 5 iterations.
- iteration 1018: trace = 2.412629828062851 (6.01804e-08% change)
- linmin: converged after 24 iterations.
- iteration 1019: trace = 2.412629826752136 (5.43272e-08% change)
- linmin: converged after 19 iterations.
- iteration 1020: trace = 2.412629826615537 (5.66184e-09% change)
- large trace change predicted (2.52403e-08%)
- linmin: converged after 8 iterations.
- iteration 1021: trace = 2.41262982600657 (2.52408e-08% change)
- linmin: converged after 10 iterations.
- iteration 1022: trace = 2.412629825573912 (1.79331e-08% change)
- linmin: converged after 4 iterations.
- iteration 1023: trace = 2.41262982544609 (5.29803e-09% change)
- large trace change predicted (1.68311e-08%)
- linmin: converged after 4 iterations.
- iteration 1024: trace = 2.412629825040014 (1.68313e-08% change)
- linmin: converged after 4 iterations.
- iteration 1025: trace = 2.412629824620993 (1.73678e-08% change)
- linmin: converged after 6 iterations.
- iteration 1026: trace = 2.412629824476852 (5.97444e-09% change)
- large trace change predicted (2.18839e-08%)
- linmin: converged after 3 iterations.
- iteration 1027: trace = 2.412629823948873 (2.18839e-08% change)
- linmin: converged after 22 iterations.
- iteration 1028: trace = 2.412629823857702 (3.77891e-09% change)
- linmin: converged after 4 iterations.
- iteration 1029: trace = 2.412629823697462 (6.64174e-09% change)
- large trace change predicted (1.82985e-08%)
- linmin: converged after 3 iterations.
- iteration 1030: trace = 2.41262982325599 (1.82984e-08% change)
- linmin: converged after 36 iterations.
- iteration 1031: trace = 2.412629823126512 (5.36668e-09% change)
- large trace change predicted (2.03961e-08%)
- linmin: converged after 3 iterations.
- iteration 1032: trace = 2.412629822634432 (2.0396e-08% change)
- linmin: converged after 21 iterations.
- iteration 1033: trace = 2.412629822112127 (2.16488e-08% change)
- linmin: converged after 3 iterations.
- iteration 1034: trace = 2.412629821927908 (7.6356e-09% change)
- large trace change predicted (3.34563e-08%)
- linmin: converged after 8 iterations.
- iteration 1035: trace = 2.412629821120743 (3.34558e-08% change)
- linmin: converged after 3 iterations.
- iteration 1036: trace = 2.412629820436516 (2.83602e-08% change)
- linmin: converged after 31 iterations.
- iteration 1037: trace = 2.412629820024577 (1.70743e-08% change)
- large trace change predicted (5.44343e-08%)
- linmin: converged after 5 iterations.
- iteration 1038: trace = 2.412629818711304 (5.44333e-08% change)
- linmin: converged after 6 iterations.
- iteration 1039: trace = 2.412629817677978 (4.28299e-08% change)
- linmin: converged after 7 iterations.
- iteration 1040: trace = 2.412629817059748 (2.56247e-08% change)
- linmin: converged after 5 iterations.
- iteration 1041: trace = 2.41262981609746 (3.98855e-08% change)
- linmin: converged after 9 iterations.
- iteration 1042: trace = 2.41262981570948 (1.60812e-08% change)
- linmin: converged after 16 iterations.
- iteration 1043: trace = 2.41262981556652 (5.92548e-09% change)
- large trace change predicted (2.34513e-08%)
- linmin: converged after 4 iterations.
- iteration 1044: trace = 2.412629815000735 (2.3451e-08% change)
- linmin: converged after 2 iterations.
- iteration 1045: trace = 2.412629814832913 (6.95597e-09% change)
- linmin: converged after 5 iterations.
- iteration 1046: trace = 2.412629814571759 (1.08245e-08% change)
- linmin: converged after 35 iterations.
- iteration 1047: trace = 2.412629814351824 (9.11599e-09% change)
- linmin: converged after 23 iterations.
- iteration 1048: trace = 2.412629814280324 (2.96358e-09% change)
- linmin: converged after 4 iterations.
- iteration 1049: trace = 2.412629814141311 (5.76188e-09% change)
- resetting CG direction...
- linmin: converged after 12 iterations.
- iteration 1050: trace = 2.412629814011531 (5.37916e-09% change)
- linmin: converged after 25 iterations.
- iteration 1051: trace = 2.41262981394684 (2.68138e-09% change)
- large trace change predicted (9.09106e-09%)
- linmin: converged after 3 iterations.
- iteration 1052: trace = 2.412629813727504 (9.09116e-09% change)
- linmin: converged after 11 iterations.
- iteration 1053: trace = 2.412629813474037 (1.05058e-08% change)
- linmin: converged after 12 iterations.
- iteration 1054: trace = 2.412629813323608 (6.23508e-09% change)
- large trace change predicted (2.13059e-08%)
- linmin: converged after 29 iterations.
- iteration 1055: trace = 2.412629812809573 (2.1306e-08% change)
- linmin: converged after 4 iterations.
- iteration 1056: trace = 2.412629812661426 (6.14049e-09% change)
- large trace change predicted (1.23601e-08%)
- linmin: converged after 4 iterations.
- iteration 1057: trace = 2.412629812363224 (1.236e-08% change)
- large trace change predicted (3.90357e-08%)
- linmin: converged after 3 iterations.
- iteration 1058: trace = 2.41262981142143 (3.9036e-08% change)
- linmin: converged after 25 iterations.
- iteration 1059: trace = 2.412629810946882 (1.96693e-08% change)
- linmin: converged after 19 iterations.
- iteration 1060: trace = 2.412629810006206 (3.89896e-08% change)
- linmin: converged after 4 iterations.
- iteration 1061: trace = 2.412629809000206 (4.16972e-08% change)
- linmin: converged after 4 iterations.
- iteration 1062: trace = 2.412629808616698 (1.58959e-08% change)
- linmin: converged after 26 iterations.
- iteration 1063: trace = 2.4126298080259 (2.44877e-08% change)
- linmin: converged after 2 iterations.
- iteration 1064: trace = 2.412629807396376 (2.60929e-08% change)
- linmin: converged after 3 iterations.
- iteration 1065: trace = 2.41262980725605 (5.81631e-09% change)
- large trace change predicted (1.77826e-08%)
- linmin: converged after 4 iterations.
- iteration 1066: trace = 2.412629806827022 (1.77826e-08% change)
- linmin: converged after 23 iterations.
- iteration 1067: trace = 2.41262980650895 (1.31836e-08% change)
- linmin: converged after 4 iterations.
- iteration 1068: trace = 2.41262980638918 (4.96427e-09% change)
- linmin: converged after 26 iterations.
- iteration 1069: trace = 2.412629806245564 (5.95267e-09% change)
- linmin: converged after 3 iterations.
- iteration 1070: trace = 2.412629806021013 (9.30735e-09% change)
- linmin: converged after 3 iterations.
- iteration 1071: trace = 2.412629805876823 (5.97643e-09% change)
- large trace change predicted (1.46939e-08%)
- linmin: converged after 27 iterations.
- iteration 1072: trace = 2.412629805522315 (1.46939e-08% change)
- linmin: converged after 4 iterations.
- iteration 1073: trace = 2.412629805419518 (4.26078e-09% change)
- linmin: converged after 4 iterations.
- iteration 1074: trace = 2.412629805217475 (8.3744e-09% change)
- linmin: converged after 23 iterations.
- iteration 1075: trace = 2.412629804859759 (1.48268e-08% change)
- linmin: converged after 23 iterations.
- iteration 1076: trace = 2.41262980478039 (3.28971e-09% change)
- large trace change predicted (1.52698e-08%)
- linmin: converged after 4 iterations.
- iteration 1077: trace = 2.412629804411993 (1.52695e-08% change)
- linmin: converged after 4 iterations.
- iteration 1078: trace = 2.412629803835411 (2.38985e-08% change)
- linmin: converged after 6 iterations.
- iteration 1079: trace = 2.412629803550236 (1.18201e-08% change)
- large trace change predicted (2.64073e-08%)
- linmin: converged after 8 iterations.
- iteration 1080: trace = 2.412629802913144 (2.64065e-08% change)
- linmin: converged after 4 iterations.
- iteration 1081: trace = 2.412629802405484 (2.10418e-08% change)
- linmin: converged after 20 iterations.
- iteration 1082: trace = 2.412629802054365 (1.45534e-08% change)
- large trace change predicted (4.85807e-08%)
- linmin: converged after 23 iterations.
- iteration 1083: trace = 2.412629800882364 (4.85777e-08% change)
- linmin: converged after 5 iterations.
- iteration 1084: trace = 2.412629799571856 (5.43187e-08% change)
- linmin: converged after 3 iterations.
- iteration 1085: trace = 2.412629799288416 (1.17482e-08% change)
- large trace change predicted (2.53772e-08%)
- linmin: converged after 4 iterations.
- iteration 1086: trace = 2.41262979867617 (2.53767e-08% change)
- linmin: converged after 6 iterations.
- iteration 1087: trace = 2.412629798155509 (2.15807e-08% change)
- linmin: converged after 3 iterations.
- iteration 1088: trace = 2.412629797977812 (7.36526e-09% change)
- large trace change predicted (1.71152e-08%)
- linmin: converged after 3 iterations.
- iteration 1089: trace = 2.412629797564891 (1.7115e-08% change)
- linmin: converged after 3 iterations.
- iteration 1090: trace = 2.412629797236036 (1.36306e-08% change)
- linmin: converged after 5 iterations.
- iteration 1091: trace = 2.412629797146127 (3.72658e-09% change)
- large trace change predicted (1.66429e-08%)
- linmin: converged after 8 iterations.
- iteration 1092: trace = 2.412629796744604 (1.66426e-08% change)
- linmin: converged after 16 iterations.
- iteration 1093: trace = 2.412629796597781 (6.08562e-09% change)
- linmin: converged after 9 iterations.
- iteration 1094: trace = 2.412629796528624 (2.86644e-09% change)
- large trace change predicted (1.32146e-08%)
- linmin: converged after 4 iterations.
- iteration 1095: trace = 2.412629796209809 (1.32144e-08% change)
- linmin: converged after 13 iterations.
- iteration 1096: trace = 2.412629796050501 (6.60307e-09% change)
- large trace change predicted (1.37413e-08%)
- linmin: converged after 3 iterations.
- iteration 1097: trace = 2.412629795718977 (1.37412e-08% change)
- linmin: converged after 3 iterations.
- iteration 1098: trace = 2.412629795455784 (1.0909e-08% change)
- linmin: converged after 5 iterations.
- iteration 1099: trace = 2.412629795325347 (5.40642e-09% change)
- large trace change predicted (1.40822e-08%)
- linmin: converged after 3 iterations.
- iteration 1100: trace = 2.412629794985595 (1.40822e-08% change)
- linmin: converged after 4 iterations.
- iteration 1101: trace = 2.412629794618395 (1.52199e-08% change)
- linmin: converged after 4 iterations.
- iteration 1102: trace = 2.412629794427571 (7.90941e-09% change)
- large trace change predicted (3.37841e-08%)
- linmin: converged after 3 iterations.
- iteration 1103: trace = 2.412629793612483 (3.37842e-08% change)
- linmin: converged after 8 iterations.
- iteration 1104: trace = 2.412629792683634 (3.84995e-08% change)
- linmin: converged after 4 iterations.
- iteration 1105: trace = 2.412629792271863 (1.70673e-08% change)
- linmin: converged after 4 iterations.
- iteration 1106: trace = 2.412629791561477 (2.94445e-08% change)
- linmin: converged after 16 iterations.
- iteration 1107: trace = 2.412629790214044 (5.58491e-08% change)
- linmin: converged after 7 iterations.
- iteration 1108: trace = 2.412629789960863 (1.0494e-08% change)
- large trace change predicted (3.90288e-08%)
- linmin: converged after 16 iterations.
- iteration 1109: trace = 2.412629789019225 (3.90295e-08% change)
- linmin: converged after 4 iterations.
- iteration 1110: trace = 2.412629788842335 (7.33182e-09% change)
- large trace change predicted (2.1421e-08%)
- linmin: converged after 9 iterations.
- iteration 1111: trace = 2.412629788325511 (2.14216e-08% change)
- linmin: converged after 3 iterations.
- iteration 1112: trace = 2.412629788037764 (1.19267e-08% change)
- linmin: converged after 3 iterations.
- iteration 1113: trace = 2.412629787803015 (9.73003e-09% change)
- linmin: converged after 23 iterations.
- iteration 1114: trace = 2.412629787699538 (4.28898e-09% change)
- large trace change predicted (1.3443e-08%)
- linmin: converged after 3 iterations.
- iteration 1115: trace = 2.412629787375206 (1.34431e-08% change)
- linmin: converged after 21 iterations.
- iteration 1116: trace = 2.412629787276294 (4.09974e-09% change)
- large trace change predicted (1.2001e-08%)
- linmin: converged after 24 iterations.
- iteration 1117: trace = 2.412629786986755 (1.2001e-08% change)
- linmin: converged after 4 iterations.
- iteration 1118: trace = 2.412629786748777 (9.86386e-09% change)
- linmin: converged after 3 iterations.
- iteration 1119: trace = 2.412629786292433 (1.89148e-08% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 1120: trace = 2.412629785848988 (1.83802e-08% change)
- linmin: converged after 3 iterations.
- iteration 1121: trace = 2.412629785623657 (9.33966e-09% change)
- linmin: converged after 10 iterations.
- iteration 1122: trace = 2.412629785396949 (9.39672e-09% change)
- linmin: converged after 3 iterations.
- iteration 1123: trace = 2.412629785252847 (5.9728e-09% change)
- linmin: converged after 3 iterations.
- iteration 1124: trace = 2.412629784965543 (1.19083e-08% change)
- linmin: converged after 6 iterations.
- iteration 1125: trace = 2.412629784894571 (2.94171e-09% change)
- large trace change predicted (8.94799e-09%)
- linmin: converged after 3 iterations.
- iteration 1126: trace = 2.412629784678686 (8.9481e-09% change)
- linmin: converged after 3 iterations.
- iteration 1127: trace = 2.412629784418998 (1.07637e-08% change)
- linmin: converged after 41 iterations.
- iteration 1128: trace = 2.412629784294783 (5.14854e-09% change)
- large trace change predicted (2.05222e-08%)
- linmin: converged after 7 iterations.
- iteration 1129: trace = 2.412629783799666 (2.05219e-08% change)
- linmin: converged after 4 iterations.
- iteration 1130: trace = 2.412629783217858 (2.41151e-08% change)
- linmin: converged after 5 iterations.
- iteration 1131: trace = 2.412629782905474 (1.29479e-08% change)
- large trace change predicted (3.93323e-08%)
- linmin: converged after 15 iterations.
- iteration 1132: trace = 2.412629781956552 (3.93314e-08% change)
- linmin: converged after 10 iterations.
- iteration 1133: trace = 2.4126297814223 (2.2144e-08% change)
- linmin: converged after 4 iterations.
- iteration 1134: trace = 2.412629781139761 (1.17108e-08% change)
- large trace change predicted (3.70881e-08%)
- linmin: converged after 34 iterations.
- iteration 1135: trace = 2.412629780244971 (3.70877e-08% change)
- linmin: converged after 4 iterations.
- iteration 1136: trace = 2.412629779825604 (1.73822e-08% change)
- linmin: converged after 4 iterations.
- iteration 1137: trace = 2.412629779584773 (9.98207e-09% change)
- linmin: converged after 2 iterations.
- iteration 1138: trace = 2.412629779380671 (8.45973e-09% change)
- linmin: converged after 4 iterations.
- iteration 1139: trace = 2.412629779150927 (9.52255e-09% change)
- linmin: converged after 4 iterations.
- iteration 1140: trace = 2.412629779034004 (4.8463e-09% change)
- linmin: converged after 13 iterations.
- iteration 1141: trace = 2.412629778809317 (9.31293e-09% change)
- linmin: converged after 3 iterations.
- iteration 1142: trace = 2.412629778738212 (2.94723e-09% change)
- large trace change predicted (9.6957e-09%)
- linmin: converged after 3 iterations.
- iteration 1143: trace = 2.41262977850429 (9.69572e-09% change)
- linmin: converged after 4 iterations.
- iteration 1144: trace = 2.412629778404162 (4.15014e-09% change)
- linmin: converged after 3 iterations.
- iteration 1145: trace = 2.412629778242337 (6.70742e-09% change)
- linmin: converged after 14 iterations.
- iteration 1146: trace = 2.412629778178061 (2.66417e-09% change)
- large trace change predicted (1.13094e-08%)
- linmin: converged after 25 iterations.
- iteration 1147: trace = 2.4126297779052 (1.13097e-08% change)
- linmin: converged after 3 iterations.
- iteration 1148: trace = 2.412629777850719 (2.25815e-09% change)
- large trace change predicted (5.19724e-09%)
- linmin: converged after 4 iterations.
- iteration 1149: trace = 2.412629777725329 (5.19723e-09% change)
- linmin: converged after 15 iterations.
- iteration 1150: trace = 2.412629777488554 (9.81398e-09% change)
- linmin: converged after 4 iterations.
- iteration 1151: trace = 2.412629777262293 (9.37822e-09% change)
- linmin: converged after 13 iterations.
- iteration 1152: trace = 2.412629777117201 (6.01385e-09% change)
- large trace change predicted (1.93871e-08%)
- linmin: converged after 6 iterations.
- iteration 1153: trace = 2.412629776649447 (1.93877e-08% change)
- linmin: converged after 28 iterations.
- iteration 1154: trace = 2.412629776527586 (5.05097e-09% change)
- large trace change predicted (3.11949e-08%)
- linmin: converged after 25 iterations.
- iteration 1155: trace = 2.412629775774925 (3.11967e-08% change)
- linmin: converged after 4 iterations.
- iteration 1156: trace = 2.412629775365852 (1.69555e-08% change)
- linmin: converged after 4 iterations.
- iteration 1157: trace = 2.412629774918892 (1.85259e-08% change)
- linmin: converged after 4 iterations.
- iteration 1158: trace = 2.412629774657288 (1.08431e-08% change)
- linmin: converged after 3 iterations.
- iteration 1159: trace = 2.412629774194538 (1.91803e-08% change)
- linmin: converged after 23 iterations.
- iteration 1160: trace = 2.412629774146317 (1.99871e-09% change)
- large trace change predicted (8.86743e-09%)
- linmin: converged after 12 iterations.
- iteration 1161: trace = 2.412629773932376 (8.86752e-09% change)
- linmin: converged after 33 iterations.
- iteration 1162: trace = 2.412629773774357 (6.54969e-09% change)
- linmin: converged after 3 iterations.
- iteration 1163: trace = 2.412629773728515 (1.90007e-09% change)
- large trace change predicted (5.67544e-09%)
- linmin: converged after 4 iterations.
- iteration 1164: trace = 2.41262977359159 (5.67535e-09% change)
- linmin: converged after 5 iterations.
- iteration 1165: trace = 2.412629773436491 (6.42861e-09% change)
- linmin: converged after 7 iterations.
- iteration 1166: trace = 2.412629773390932 (1.88836e-09% change)
- large trace change predicted (7.66799e-09%)
- linmin: converged after 3 iterations.
- iteration 1167: trace = 2.412629773205932 (7.668e-09% change)
- linmin: converged after 19 iterations.
- iteration 1168: trace = 2.412629773149117 (2.3549e-09% change)
- linmin: converged after 4 iterations.
- iteration 1169: trace = 2.412629773119786 (1.2157e-09% change)
- large trace change predicted (6.37928e-09%)
- linmin: converged after 4 iterations.
- iteration 1170: trace = 2.412629772965878 (6.37926e-09% change)
- linmin: converged after 26 iterations.
- iteration 1171: trace = 2.412629772928143 (1.56407e-09% change)
- large trace change predicted (7.14913e-09%)
- linmin: converged after 19 iterations.
- iteration 1172: trace = 2.412629772755665 (7.14898e-09% change)
- linmin: converged after 5 iterations.
- iteration 1173: trace = 2.412629772634329 (5.02918e-09% change)
- linmin: converged after 5 iterations.
- iteration 1174: trace = 2.412629772553549 (3.34822e-09% change)
- large trace change predicted (8.31988e-09%)
- linmin: converged after 6 iterations.
- iteration 1175: trace = 2.412629772352822 (8.31984e-09% change)
- linmin: converged after 4 iterations.
- iteration 1176: trace = 2.412629772014664 (1.40162e-08% change)
- linmin: converged after 26 iterations.
- iteration 1177: trace = 2.412629771917082 (4.04465e-09% change)
- large trace change predicted (2.20423e-08%)
- linmin: converged after 4 iterations.
- iteration 1178: trace = 2.412629771385287 (2.20421e-08% change)
- linmin: converged after 26 iterations.
- iteration 1179: trace = 2.412629771082309 (1.2558e-08% change)
- linmin: converged after 2 iterations.
- iteration 1180: trace = 2.412629770824299 (1.06941e-08% change)
- linmin: converged after 3 iterations.
- iteration 1181: trace = 2.412629770583826 (9.96722e-09% change)
- linmin: converged after 2 iterations.
- iteration 1182: trace = 2.412629770466926 (4.84536e-09% change)
- linmin: converged after 7 iterations.
- iteration 1183: trace = 2.412629770326081 (5.83781e-09% change)
- linmin: converged after 18 iterations.
- iteration 1184: trace = 2.412629770093298 (9.64852e-09% change)
- linmin: converged after 4 iterations.
- iteration 1185: trace = 2.412629770026122 (2.78435e-09% change)
- linmin: converged after 3 iterations.
- iteration 1186: trace = 2.412629769941639 (3.50168e-09% change)
- linmin: converged after 4 iterations.
- iteration 1187: trace = 2.412629769861093 (3.33854e-09% change)
- linmin: converged after 3 iterations.
- iteration 1188: trace = 2.412629769830064 (1.28607e-09% change)
- linmin: converged after 2 iterations.
- iteration 1189: trace = 2.412629769788242 (1.73347e-09% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1190: trace = 2.412629769748404 (1.65126e-09% change)
- linmin: converged after 3 iterations.
- iteration 1191: trace = 2.412629769719834 (1.18415e-09% change)
- large trace change predicted (3.31441e-09%)
- linmin: converged after 19 iterations.
- iteration 1192: trace = 2.41262976963987 (3.31439e-09% change)
- linmin: converged after 2 iterations.
- iteration 1193: trace = 2.412629769587001 (2.19137e-09% change)
- linmin: converged after 20 iterations.
- iteration 1194: trace = 2.412629769497466 (3.71108e-09% change)
- linmin: converged after 5 iterations.
- iteration 1195: trace = 2.412629769344929 (6.32244e-09% change)
- linmin: converged after 19 iterations.
- iteration 1196: trace = 2.412629769274844 (2.90493e-09% change)
- linmin: converged after 4 iterations.
- iteration 1197: trace = 2.412629769167316 (4.45685e-09% change)
- large trace change predicted (1.20284e-08%)
- linmin: converged after 4 iterations.
- iteration 1198: trace = 2.412629768877114 (1.20285e-08% change)
- linmin: converged after 6 iterations.
- iteration 1199: trace = 2.412629768796037 (3.36054e-09% change)
- large trace change predicted (1.92599e-08%)
- linmin: converged after 13 iterations.
- iteration 1200: trace = 2.412629768331363 (1.926e-08% change)
- linmin: converged after 25 iterations.
- iteration 1201: trace = 2.41262976801378 (1.31634e-08% change)
- linmin: converged after 18 iterations.
- iteration 1202: trace = 2.41262976784906 (6.8274e-09% change)
- linmin: converged after 3 iterations.
- iteration 1203: trace = 2.412629767635065 (8.86977e-09% change)
- linmin: converged after 4 iterations.
- iteration 1204: trace = 2.412629767491865 (5.93546e-09% change)
- linmin: converged after 3 iterations.
- iteration 1205: trace = 2.412629767384182 (4.46328e-09% change)
- linmin: converged after 4 iterations.
- iteration 1206: trace = 2.412629767223459 (6.66173e-09% change)
- linmin: converged after 3 iterations.
- iteration 1207: trace = 2.412629767172048 (2.13094e-09% change)
- large trace change predicted (4.28805e-09%)
- linmin: converged after 25 iterations.
- iteration 1208: trace = 2.412629767068592 (4.2881e-09% change)
- linmin: converged after 6 iterations.
- iteration 1209: trace = 2.412629767018007 (2.09665e-09% change)
- linmin: converged after 4 iterations.
- iteration 1210: trace = 2.412629766926253 (3.80308e-09% change)
- linmin: converged after 15 iterations.
- iteration 1211: trace = 2.412629766896727 (1.2238e-09% change)
- large trace change predicted (5.36684e-09%)
- linmin: converged after 24 iterations.
- iteration 1212: trace = 2.412629766767248 (5.36674e-09% change)
- linmin: converged after 4 iterations.
- iteration 1213: trace = 2.412629766734905 (1.34057e-09% change)
- large trace change predicted (2.70327e-09%)
- linmin: converged after 4 iterations.
- iteration 1214: trace = 2.412629766669687 (2.70319e-09% change)
- large trace change predicted (5.64749e-09%)
- linmin: converged after 9 iterations.
- iteration 1215: trace = 2.412629766533433 (5.64754e-09% change)
- linmin: converged after 2 iterations.
- iteration 1216: trace = 2.412629766508651 (1.02718e-09% change)
- large trace change predicted (5.54056e-09%)
- linmin: converged after 4 iterations.
- iteration 1217: trace = 2.412629766374981 (5.54043e-09% change)
- linmin: converged after 4 iterations.
- iteration 1218: trace = 2.412629766231579 (5.94381e-09% change)
- linmin: converged after 24 iterations.
- iteration 1219: trace = 2.412629766176944 (2.26454e-09% change)
- large trace change predicted (5.33296e-09%)
- linmin: converged after 3 iterations.
- iteration 1220: trace = 2.412629766048279 (5.33294e-09% change)
- large trace change predicted (1.31523e-08%)
- linmin: converged after 3 iterations.
- iteration 1221: trace = 2.412629765730969 (1.3152e-08% change)
- linmin: converged after 4 iterations.
- iteration 1222: trace = 2.412629765492582 (9.8808e-09% change)
- linmin: converged after 38 iterations.
- iteration 1223: trace = 2.412629765145416 (1.43895e-08% change)
- linmin: converged after 4 iterations.
- iteration 1224: trace = 2.412629764765214 (1.57588e-08% change)
- linmin: converged after 14 iterations.
- iteration 1225: trace = 2.412629764609337 (6.4609e-09% change)
- linmin: converged after 3 iterations.
- iteration 1226: trace = 2.412629764394798 (8.89231e-09% change)
- linmin: converged after 9 iterations.
- iteration 1227: trace = 2.412629764162322 (9.63578e-09% change)
- linmin: converged after 4 iterations.
- iteration 1228: trace = 2.412629764020966 (5.85899e-09% change)
- linmin: converged after 5 iterations.
- iteration 1229: trace = 2.412629763948705 (2.99514e-09% change)
- linmin: converged after 19 iterations.
- iteration 1230: trace = 2.412629763820925 (5.2963e-09% change)
- linmin: converged after 4 iterations.
- iteration 1231: trace = 2.412629763746147 (3.09942e-09% change)
- linmin: converged after 13 iterations.
- iteration 1232: trace = 2.412629763688642 (2.3835e-09% change)
- linmin: converged after 6 iterations.
- iteration 1233: trace = 2.412629763615511 (3.03117e-09% change)
- linmin: converged after 6 iterations.
- iteration 1234: trace = 2.412629763533967 (3.3799e-09% change)
- linmin: converged after 4 iterations.
- iteration 1235: trace = 2.412629763483325 (2.09901e-09% change)
- large trace change predicted (6.53479e-09%)
- linmin: converged after 3 iterations.
- iteration 1236: trace = 2.412629763325664 (6.53484e-09% change)
- linmin: converged after 33 iterations.
- iteration 1237: trace = 2.412629763303096 (9.35399e-10% change)
- large trace change predicted (4.50275e-09%)
- linmin: converged after 22 iterations.
- iteration 1238: trace = 2.412629763194457 (4.50292e-09% change)
- linmin: converged after 7 iterations.
- iteration 1239: trace = 2.412629763082278 (4.64968e-09% change)
- linmin: converged after 26 iterations.
- iteration 1240: trace = 2.412629763036044 (1.9163e-09% change)
- large trace change predicted (4.92078e-09%)
- linmin: converged after 18 iterations.
- iteration 1241: trace = 2.412629762917325 (4.92076e-09% change)
- linmin: converged after 4 iterations.
- iteration 1242: trace = 2.412629762682696 (9.725e-09% change)
- linmin: converged after 10 iterations.
- iteration 1243: trace = 2.412629762592304 (3.74664e-09% change)
- large trace change predicted (1.75923e-08%)
- linmin: converged after 8 iterations.
- iteration 1244: trace = 2.412629762167861 (1.75925e-08% change)
- linmin: converged after 3 iterations.
- iteration 1245: trace = 2.4126297620757 (3.81996e-09% change)
- large trace change predicted (9.87021e-09%)
- linmin: converged after 4 iterations.
- iteration 1246: trace = 2.412629761837568 (9.87023e-09% change)
- large trace change predicted (2.09998e-08%)
- linmin: converged after 31 iterations.
- iteration 1247: trace = 2.412629761330913 (2.10001e-08% change)
- linmin: converged after 4 iterations.
- iteration 1248: trace = 2.412629761106383 (9.30643e-09% change)
- linmin: converged after 4 iterations.
- iteration 1249: trace = 2.412629760964092 (5.89778e-09% change)
- linmin: converged after 26 iterations.
- iteration 1250: trace = 2.412629760743328 (9.15032e-09% change)
- linmin: converged after 16 iterations.
- iteration 1251: trace = 2.412629760697433 (1.90227e-09% change)
- linmin: converged after 32 iterations.
- iteration 1252: trace = 2.412629760613019 (3.49887e-09% change)
- linmin: converged after 7 iterations.
- iteration 1253: trace = 2.41262976052164 (3.78752e-09% change)
- linmin: converged after 4 iterations.
- iteration 1254: trace = 2.412629760448013 (3.05171e-09% change)
- linmin: converged after 5 iterations.
- iteration 1255: trace = 2.412629760396692 (2.12719e-09% change)
- large trace change predicted (5.52559e-09%)
- linmin: converged after 20 iterations.
- iteration 1256: trace = 2.412629760263379 (5.52565e-09% change)
- linmin: converged after 3 iterations.
- iteration 1257: trace = 2.412629760231685 (1.31368e-09% change)
- large trace change predicted (7.23674e-09%)
- linmin: converged after 20 iterations.
- iteration 1258: trace = 2.412629760057085 (7.23691e-09% change)
- large trace change predicted (1.10329e-07%)
- linmin: converged after 4 iterations.
- iteration 1259: trace = 2.412629757394972 (1.10341e-07% change)
- resetting CG direction...
- linmin: converged after 31 iterations.
- iteration 1260: trace = 2.412629756145485 (5.17894e-08% change)
- linmin: converged after 3 iterations.
- iteration 1261: trace = 2.412629755522189 (2.58347e-08% change)
- linmin: converged after 4 iterations.
- iteration 1262: trace = 2.412629755420031 (4.23429e-09% change)
- linmin: converged after 3 iterations.
- iteration 1263: trace = 2.412629755311408 (4.50228e-09% change)
- linmin: converged after 31 iterations.
- iteration 1264: trace = 2.412629755139941 (7.10707e-09% change)
- linmin: converged after 2 iterations.
- iteration 1265: trace = 2.412629755127741 (5.05673e-10% change)
- large trace change predicted (4.14563e-09%)
- linmin: converged after 2 iterations.
- iteration 1266: trace = 2.412629755027722 (4.14565e-09% change)
- linmin: converged after 28 iterations.
- iteration 1267: trace = 2.412629754993594 (1.41453e-09% change)
- linmin: converged after 7 iterations.
- iteration 1268: trace = 2.412629754977538 (6.655e-10% change)
- large trace change predicted (3.01768e-09%)
- linmin: converged after 3 iterations.
- iteration 1269: trace = 2.412629754904733 (3.01767e-09% change)
- linmin: converged after 26 iterations.
- iteration 1270: trace = 2.412629754855381 (2.04555e-09% change)
- linmin: converged after 8 iterations.
- iteration 1271: trace = 2.412629754793346 (2.57125e-09% change)
- large trace change predicted (6.44622e-09%)
- linmin: converged after 6 iterations.
- iteration 1272: trace = 2.412629754637826 (6.4461e-09% change)
- linmin: converged after 4 iterations.
- iteration 1273: trace = 2.412629754580816 (2.36298e-09% change)
- linmin: converged after 4 iterations.
- iteration 1274: trace = 2.412629754519073 (2.55914e-09% change)
- large trace change predicted (6.61425e-09%)
- linmin: converged after 18 iterations.
- iteration 1275: trace = 2.412629754359497 (6.61423e-09% change)
- linmin: converged after 4 iterations.
- iteration 1276: trace = 2.412629754255988 (4.29027e-09% change)
- linmin: converged after 3 iterations.
- iteration 1277: trace = 2.412629754117463 (5.74165e-09% change)
- linmin: converged after 3 iterations.
- iteration 1278: trace = 2.412629753994368 (5.10212e-09% change)
- linmin: converged after 6 iterations.
- iteration 1279: trace = 2.412629753928176 (2.74358e-09% change)
- linmin: converged after 3 iterations.
- iteration 1280: trace = 2.41262975382433 (4.30426e-09% change)
- linmin: converged after 2 iterations.
- iteration 1281: trace = 2.412629753688581 (5.62661e-09% change)
- linmin: converged after 16 iterations.
- iteration 1282: trace = 2.412629753664304 (1.00625e-09% change)
- large trace change predicted (3.85085e-09%)
- linmin: converged after 15 iterations.
- iteration 1283: trace = 2.412629753571395 (3.85093e-09% change)
- linmin: converged after 4 iterations.
- iteration 1284: trace = 2.41262975351645 (2.27739e-09% change)
- linmin: converged after 4 iterations.
- iteration 1285: trace = 2.412629753499298 (7.10909e-10% change)
- linmin: converged after 15 iterations.
- iteration 1286: trace = 2.41262975346662 (1.35449e-09% change)
- linmin: converged after 3 iterations.
- iteration 1287: trace = 2.412629753416082 (2.0947e-09% change)
- linmin: converged after 4 iterations.
- iteration 1288: trace = 2.412629753405603 (4.34347e-10% change)
- large trace change predicted (1.54026e-09%)
- linmin: converged after 18 iterations.
- iteration 1289: trace = 2.412629753368441 (1.54032e-09% change)
- linmin: converged after 3 iterations.
- iteration 1290: trace = 2.412629753361718 (2.78661e-10% change)
- large trace change predicted (9.30624e-10%)
- linmin: converged after 13 iterations.
- iteration 1291: trace = 2.412629753339264 (9.30687e-10% change)
- large trace change predicted (2.39756e-09%)
- linmin: converged after 5 iterations.
- iteration 1292: trace = 2.412629753281419 (2.39758e-09% change)
- linmin: converged after 13 iterations.
- iteration 1293: trace = 2.412629753266869 (6.03064e-10% change)
- large trace change predicted (4.52078e-09%)
- linmin: converged after 4 iterations.
- iteration 1294: trace = 2.4126297531578 (4.52076e-09% change)
- linmin: converged after 6 iterations.
- iteration 1295: trace = 2.412629753018132 (5.78903e-09% change)
- linmin: converged after 3 iterations.
- iteration 1296: trace = 2.412629752936917 (3.36625e-09% change)
- linmin: converged after 5 iterations.
- iteration 1297: trace = 2.412629752886115 (2.10567e-09% change)
- large trace change predicted (5.0815e-09%)
- linmin: converged after 30 iterations.
- iteration 1298: trace = 2.412629752763515 (5.0816e-09% change)
- linmin: converged after 8 iterations.
- iteration 1299: trace = 2.412629752690727 (3.01698e-09% change)
- linmin: converged after 38 iterations.
- iteration 1300: trace = 2.412629752592583 (4.0679e-09% change)
- linmin: converged after 18 iterations.
- iteration 1301: trace = 2.412629752489281 (4.28173e-09% change)
- linmin: converged after 4 iterations.
- iteration 1302: trace = 2.412629752471359 (7.42845e-10% change)
- large trace change predicted (2.44872e-09%)
- linmin: converged after 28 iterations.
- iteration 1303: trace = 2.41262975241228 (2.44876e-09% change)
- linmin: converged after 4 iterations.
- iteration 1304: trace = 2.412629752376628 (1.4777e-09% change)
- linmin: converged after 3 iterations.
- iteration 1305: trace = 2.412629752357191 (8.0565e-10% change)
- large trace change predicted (2.63898e-09%)
- linmin: converged after 9 iterations.
- iteration 1306: trace = 2.412629752293523 (2.63894e-09% change)
- linmin: converged after 23 iterations.
- iteration 1307: trace = 2.412629752241498 (2.15634e-09% change)
- linmin: converged after 2 iterations.
- iteration 1308: trace = 2.412629752229971 (4.77805e-10% change)
- large trace change predicted (1.61003e-09%)
- linmin: converged after 18 iterations.
- iteration 1309: trace = 2.412629752191125 (1.61008e-09% change)
- linmin: converged after 2 iterations.
- iteration 1310: trace = 2.412629752176672 (5.99069e-10% change)
- linmin: converged after 12 iterations.
- iteration 1311: trace = 2.412629752167809 (3.67346e-10% change)
- linmin: converged after 19 iterations.
- iteration 1312: trace = 2.41262975215146 (6.77648e-10% change)
- linmin: converged after 5 iterations.
- iteration 1313: trace = 2.412629752119543 (1.32294e-09% change)
- linmin: converged after 17 iterations.
- iteration 1314: trace = 2.412629752104291 (6.32147e-10% change)
- large trace change predicted (2.22953e-09%)
- linmin: converged after 10 iterations.
- iteration 1315: trace = 2.412629752050501 (2.22953e-09% change)
- linmin: converged after 4 iterations.
- iteration 1316: trace = 2.41262975203415 (6.77704e-10% change)
- large trace change predicted (1.73052e-09%)
- linmin: converged after 4 iterations.
- iteration 1317: trace = 2.412629751992398 (1.73058e-09% change)
- large trace change predicted (3.80022e-09%)
- linmin: converged after 6 iterations.
- iteration 1318: trace = 2.412629751900716 (3.80009e-09% change)
- linmin: converged after 4 iterations.
- iteration 1319: trace = 2.412629751855262 (1.88398e-09% change)
- linmin: converged after 19 iterations.
- iteration 1320: trace = 2.412629751800265 (2.27956e-09% change)
- large trace change predicted (5.32944e-09%)
- linmin: converged after 21 iterations.
- iteration 1321: trace = 2.412629751671685 (5.32946e-09% change)
- linmin: converged after 8 iterations.
- iteration 1322: trace = 2.412629751644616 (1.12197e-09% change)
- linmin: converged after 10 iterations.
- iteration 1323: trace = 2.412629751601681 (1.77959e-09% change)
- linmin: converged after 4 iterations.
- iteration 1324: trace = 2.412629751544592 (2.36626e-09% change)
- linmin: converged after 12 iterations.
- iteration 1325: trace = 2.412629751534512 (4.17799e-10% change)
- large trace change predicted (2.02914e-09%)
- linmin: converged after 18 iterations.
- iteration 1326: trace = 2.412629751485556 (2.02913e-09% change)
- linmin: converged after 12 iterations.
- iteration 1327: trace = 2.412629751472368 (5.46647e-10% change)
- linmin: converged after 4 iterations.
- iteration 1328: trace = 2.412629751465104 (3.01062e-10% change)
- linmin: converged after 16 iterations.
- iteration 1329: trace = 2.412629751451304 (5.71993e-10% change)
- resetting CG direction...
- linmin: converged after 19 iterations.
- iteration 1330: trace = 2.412629751441995 (3.85844e-10% change)
- linmin: converged after 4 iterations.
- iteration 1331: trace = 2.412629751436322 (2.35148e-10% change)
- large trace change predicted (4.92008e-10%)
- linmin: converged after 2 iterations.
- iteration 1332: trace = 2.41262975142445 (4.92089e-10% change)
- linmin: converged after 16 iterations.
- iteration 1333: trace = 2.412629751400893 (9.76392e-10% change)
- linmin: converged after 10 iterations.
- iteration 1334: trace = 2.412629751383613 (7.16247e-10% change)
- large trace change predicted (1.82443e-09%)
- linmin: converged after 13 iterations.
- iteration 1335: trace = 2.412629751339598 (1.82434e-09% change)
- linmin: converged after 6 iterations.
- iteration 1336: trace = 2.412629751322894 (6.92374e-10% change)
- large trace change predicted (2.07471e-09%)
- linmin: converged after 13 iterations.
- iteration 1337: trace = 2.412629751272838 (2.07475e-09% change)
- linmin: converged after 14 iterations.
- iteration 1338: trace = 2.412629751200171 (3.01191e-09% change)
- linmin: converged after 6 iterations.
- iteration 1339: trace = 2.412629751172607 (1.14251e-09% change)
- large trace change predicted (3.35386e-09%)
- linmin: converged after 11 iterations.
- iteration 1340: trace = 2.412629751091689 (3.35393e-09% change)
- linmin: converged after 4 iterations.
- iteration 1341: trace = 2.412629751009129 (3.42196e-09% change)
- linmin: converged after 4 iterations.
- iteration 1342: trace = 2.412629750989969 (7.94182e-10% change)
- linmin: converged after 4 iterations.
- iteration 1343: trace = 2.412629750956418 (1.39062e-09% change)
- linmin: converged after 2 iterations.
- iteration 1344: trace = 2.412629750895868 (2.50974e-09% change)
- linmin: converged after 10 iterations.
- iteration 1345: trace = 2.412629750889071 (2.81717e-10% change)
- large trace change predicted (1.4371e-09%)
- linmin: converged after 4 iterations.
- iteration 1346: trace = 2.412629750854401 (1.43702e-09% change)
- linmin: converged after 7 iterations.
- iteration 1347: trace = 2.412629750839396 (6.21912e-10% change)
- linmin: converged after 3 iterations.
- iteration 1348: trace = 2.412629750832454 (2.87736e-10% change)
- linmin: converged after 4 iterations.
- iteration 1349: trace = 2.412629750819 (5.57672e-10% change)
- linmin: converged after 5 iterations.
- iteration 1350: trace = 2.412629750804569 (5.98131e-10% change)
- linmin: converged after 8 iterations.
- iteration 1351: trace = 2.412629750799901 (1.93474e-10% change)
- large trace change predicted (1.77238e-09%)
- linmin: converged after 17 iterations.
- iteration 1352: trace = 2.412629750757146 (1.77216e-09% change)
- linmin: converged after 12 iterations.
- iteration 1353: trace = 2.412629750720045 (1.53778e-09% change)
- linmin: converged after 6 iterations.
- iteration 1354: trace = 2.412629750702059 (7.45478e-10% change)
- linmin: converged after 4 iterations.
- iteration 1355: trace = 2.412629750682192 (8.23467e-10% change)
- linmin: converged after 4 iterations.
- iteration 1356: trace = 2.412629750651361 (1.27788e-09% change)
- linmin: converged after 9 iterations.
- iteration 1357: trace = 2.412629750630569 (8.61827e-10% change)
- large trace change predicted (2.62029e-09%)
- linmin: converged after 5 iterations.
- iteration 1358: trace = 2.412629750567349 (2.62036e-09% change)
- linmin: converged after 4 iterations.
- iteration 1359: trace = 2.412629750549673 (7.32648e-10% change)
- large trace change predicted (3.17057e-09%)
- linmin: converged after 4 iterations.
- iteration 1360: trace = 2.412629750473182 (3.17045e-09% change)
- linmin: converged after 19 iterations.
- iteration 1361: trace = 2.412629750403901 (2.87158e-09% change)
- linmin: converged after 21 iterations.
- iteration 1362: trace = 2.412629750312024 (3.80818e-09% change)
- linmin: converged after 26 iterations.
- iteration 1363: trace = 2.412629750243348 (2.84651e-09% change)
- linmin: converged after 15 iterations.
- iteration 1364: trace = 2.412629750215733 (1.14459e-09% change)
- large trace change predicted (2.99681e-09%)
- linmin: converged after 4 iterations.
- iteration 1365: trace = 2.412629750143431 (2.99682e-09% change)
- linmin: converged after 3 iterations.
- iteration 1366: trace = 2.412629750113363 (1.24629e-09% change)
- linmin: converged after 4 iterations.
- iteration 1367: trace = 2.412629750103837 (3.94845e-10% change)
- large trace change predicted (1.79753e-09%)
- linmin: converged after 23 iterations.
- iteration 1368: trace = 2.412629750060469 (1.79754e-09% change)
- linmin: converged after 6 iterations.
- iteration 1369: trace = 2.412629750048949 (4.77474e-10% change)
- linmin: converged after 25 iterations.
- iteration 1370: trace = 2.412629750032419 (6.85158e-10% change)
- linmin: converged after 15 iterations.
- iteration 1371: trace = 2.412629750011623 (8.61956e-10% change)
- linmin: converged after 14 iterations.
- iteration 1372: trace = 2.412629750004998 (2.74575e-10% change)
- large trace change predicted (1.2595e-09%)
- linmin: converged after 7 iterations.
- iteration 1373: trace = 2.412629749974613 (1.25945e-09% change)
- linmin: converged after 2 iterations.
- iteration 1374: trace = 2.412629749959753 (6.15893e-10% change)
- linmin: converged after 12 iterations.
- iteration 1375: trace = 2.412629749952411 (3.04339e-10% change)
- large trace change predicted (1.64146e-09%)
- linmin: converged after 12 iterations.
- iteration 1376: trace = 2.412629749912809 (1.64143e-09% change)
- linmin: converged after 17 iterations.
- iteration 1377: trace = 2.412629749904083 (3.61695e-10% change)
- large trace change predicted (1.53902e-09%)
- linmin: converged after 5 iterations.
- iteration 1378: trace = 2.412629749866952 (1.539e-09% change)
- linmin: converged after 6 iterations.
- iteration 1379: trace = 2.412629749838286 (1.1882e-09% change)
- large trace change predicted (2.73749e-09%)
- linmin: converged after 21 iterations.
- iteration 1380: trace = 2.412629749772243 (2.73738e-09% change)
- linmin: converged after 5 iterations.
- iteration 1381: trace = 2.412629749756631 (6.47075e-10% change)
- large trace change predicted (3.6325e-09%)
- linmin: converged after 17 iterations.
- iteration 1382: trace = 2.41262974966899 (3.63259e-09% change)
- linmin: converged after 5 iterations.
- iteration 1383: trace = 2.412629749612043 (2.36038e-09% change)
- linmin: converged after 4 iterations.
- iteration 1384: trace = 2.412629749557288 (2.26951e-09% change)
- linmin: converged after 26 iterations.
- iteration 1385: trace = 2.412629749493279 (2.65309e-09% change)
- linmin: converged after 20 iterations.
- iteration 1386: trace = 2.412629749454938 (1.58919e-09% change)
- linmin: converged after 10 iterations.
- iteration 1387: trace = 2.412629749408137 (1.93982e-09% change)
- linmin: converged after 6 iterations.
- iteration 1388: trace = 2.412629749327676 (3.33499e-09% change)
- linmin: converged after 5 iterations.
- iteration 1389: trace = 2.412629749311012 (6.9068e-10% change)
- linmin: converged after 7 iterations.
- iteration 1390: trace = 2.41262974928682 (1.00273e-09% change)
- linmin: converged after 4 iterations.
- iteration 1391: trace = 2.412629749274504 (5.10496e-10% change)
- linmin: converged after 4 iterations.
- iteration 1392: trace = 2.412629749259505 (6.21655e-10% change)
- linmin: converged after 18 iterations.
- iteration 1393: trace = 2.412629749239148 (8.43807e-10% change)
- linmin: converged after 3 iterations.
- iteration 1394: trace = 2.412629749215643 (9.7422e-10% change)
- linmin: converged after 4 iterations.
- iteration 1395: trace = 2.412629749206566 (3.76254e-10% change)
- large trace change predicted (2.26574e-09%)
- linmin: converged after 2 iterations.
- iteration 1396: trace = 2.412629749151904 (2.26564e-09% change)
- large trace change predicted (1.16568e-08%)
- linmin: converged after 4 iterations.
- iteration 1397: trace = 2.412629748870666 (1.16569e-08% change)
- linmin: converged after 4 iterations.
- iteration 1398: trace = 2.412629748756963 (4.71284e-09% change)
- large trace change predicted (3.40752e-08%)
- linmin: converged after 4 iterations.
- iteration 1399: trace = 2.41262974793485 (3.40754e-08% change)
- resetting CG direction...
- linmin: converged after 13 iterations.
- iteration 1400: trace = 2.412629747609123 (1.35009e-08% change)
- linmin: converged after 4 iterations.
- iteration 1401: trace = 2.412629747566691 (1.75876e-09% change)
- large trace change predicted (6.23889e-09%)
- linmin: converged after 3 iterations.
- iteration 1402: trace = 2.412629747416172 (6.23876e-09% change)
- linmin: converged after 2 iterations.
- iteration 1403: trace = 2.412629747346273 (2.89724e-09% change)
- linmin: converged after 2 iterations.
- iteration 1404: trace = 2.412629747312993 (1.37941e-09% change)
- linmin: converged after 6 iterations.
- iteration 1405: trace = 2.412629747282349 (1.27013e-09% change)
- linmin: converged after 4 iterations.
- iteration 1406: trace = 2.412629747241782 (1.68147e-09% change)
- linmin: converged after 2 iterations.
- iteration 1407: trace = 2.412629747230548 (4.65638e-10% change)
- large trace change predicted (1.42629e-09%)
- linmin: converged after 3 iterations.
- iteration 1408: trace = 2.412629747196136 (1.42631e-09% change)
- linmin: converged after 4 iterations.
- iteration 1409: trace = 2.412629747184705 (4.73811e-10% change)
- linmin: converged after 12 iterations.
- iteration 1410: trace = 2.412629747166181 (7.67768e-10% change)
- linmin: converged after 7 iterations.
- iteration 1411: trace = 2.412629747155916 (4.25474e-10% change)
- linmin: converged after 3 iterations.
- iteration 1412: trace = 2.412629747150669 (2.17495e-10% change)
- linmin: converged after 3 iterations.
- iteration 1413: trace = 2.412629747144602 (2.51456e-10% change)
- linmin: converged after 8 iterations.
- iteration 1414: trace = 2.412629747134135 (4.3385e-10% change)
- linmin: converged after 6 iterations.
- iteration 1415: trace = 2.412629747130711 (1.41898e-10% change)
- large trace change predicted (6.10392e-10%)
- linmin: converged after 3 iterations.
- iteration 1416: trace = 2.412629747115985 (6.10371e-10% change)
- linmin: converged after 14 iterations.
- iteration 1417: trace = 2.412629747103849 (5.03022e-10% change)
- linmin: converged after 7 iterations.
- iteration 1418: trace = 2.412629747096434 (3.07376e-10% change)
- large trace change predicted (9.03859e-10%)
- linmin: converged after 15 iterations.
- iteration 1419: trace = 2.412629747074628 (9.03795e-10% change)
- linmin: converged after 4 iterations.
- iteration 1420: trace = 2.412629747044051 (1.26739e-09% change)
- linmin: converged after 4 iterations.
- iteration 1421: trace = 2.412629747036468 (3.14315e-10% change)
- large trace change predicted (1.66292e-09%)
- linmin: converged after 10 iterations.
- iteration 1422: trace = 2.412629746996349 (1.66286e-09% change)
- linmin: converged after 4 iterations.
- iteration 1423: trace = 2.412629746985881 (4.33905e-10% change)
- linmin: converged after 3 iterations.
- iteration 1424: trace = 2.412629746969449 (6.81054e-10% change)
- linmin: converged after 4 iterations.
- iteration 1425: trace = 2.412629746945281 (1.00176e-09% change)
- linmin: converged after 3 iterations.
- iteration 1426: trace = 2.412629746929147 (6.68721e-10% change)
- linmin: converged after 7 iterations.
- iteration 1427: trace = 2.412629746926041 (1.28719e-10% change)
- linmin: converged after 4 iterations.
- iteration 1428: trace = 2.412629746921242 (1.98923e-10% change)
- linmin: converged after 7 iterations.
- iteration 1429: trace = 2.412629746912748 (3.52049e-10% change)
- linmin: converged after 3 iterations.
- iteration 1430: trace = 2.412629746905693 (2.9243e-10% change)
- linmin: converged after 4 iterations.
- iteration 1431: trace = 2.412629746902486 (1.32953e-10% change)
- large trace change predicted (4.34248e-10%)
- linmin: converged after 11 iterations.
- iteration 1432: trace = 2.412629746892007 (4.34328e-10% change)
- linmin: converged after 13 iterations.
- iteration 1433: trace = 2.412629746890513 (6.19207e-11% change)
-Finished solving for bands 1 to 10 after 1433 iterations.
-tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431
-elapsed time for k point: 12.581516742706299
-solve_kpoint (0.333333,0,0):
-Solving for bands 1 to 10...
- linmin: converged after 4 iterations.
- iteration 1: trace = 2.507713985909253 (1.59188% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.485279161564237 (0.898652% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.473300433001331 (0.483152% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.471538512190564 (0.071263% change)
- large trace change predicted (0.219371%)
- linmin: converged after 3 iterations.
- iteration 5: trace = 2.466059289837871 (0.221939% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 2.464717523270199 (0.0544241% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 2.46363578384327 (0.0438986% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 2.462593076611024 (0.0423329% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.462286932461276 (0.0124326% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 2.461752162924051 (0.0217208% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.461484370670815 (0.0108787% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 2.461340116065417 (0.00586064% change)
- large trace change predicted (0.0129832%)
- linmin: converged after 3 iterations.
- iteration 13: trace = 2.461019984093813 (0.0130073% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 2.460939639245447 (0.00326475% change)
- large trace change predicted (0.0070093%)
- linmin: converged after 3 iterations.
- iteration 15: trace = 2.460767349107734 (0.00700124% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 2.460655437132787 (0.00454795% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 2.460570973723221 (0.00343262% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 2.460446786303572 (0.00504723% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 2.460369613396028 (0.00313659% change)
- large trace change predicted (0.00795679%)
- linmin: converged after 4 iterations.
- iteration 20: trace = 2.460173576143728 (0.00796811% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 2.459919542489344 (0.0103264% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.459712837233604 (0.00840328% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 2.459365499297269 (0.0141221% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 2.459091691742681 (0.0111339% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 2.458658850278316 (0.0176032% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 2.45837578815362 (0.0115135% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 2.458262680161734 (0.00460103% change)
- large trace change predicted (0.0113358%)
- linmin: converged after 4 iterations.
- iteration 28: trace = 2.457986293200407 (0.0112438% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 2.457774366463829 (0.00862234% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 2.457671503282361 (0.0041853% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 2.457500671235163 (0.00695121% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 2.457364690361219 (0.00553345% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 2.457316173045923 (0.00197438% change)
- large trace change predicted (0.0049619%)
- linmin: converged after 4 iterations.
- iteration 34: trace = 2.457194684027967 (0.00494409% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 2.457143235304573 (0.00209382% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 2.457081169049488 (0.00252598% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 2.457025704678373 (0.00225735% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 2.4569835796467 (0.00171449% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 2.456938445896089 (0.00183697% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 2.456868651029056 (0.00284077% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 2.456832201357737 (0.00148359% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 2.456762746387228 (0.00282705% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 2.456633754385877 (0.00525062% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 2.456571978694712 (0.00251468% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 2.456460127600202 (0.00455324% change)
- large trace change predicted (0.00975227%)
- linmin: converged after 4 iterations.
- iteration 46: trace = 2.456217913606074 (0.00986077% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 2.456161011874888 (0.00231667% change)
- large trace change predicted (0.0100951%)
- linmin: converged after 4 iterations.
- iteration 48: trace = 2.455910183905917 (0.0102127% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 2.455766265407017 (0.00586026% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 2.455707449206866 (0.00239505% change)
- large trace change predicted (0.00907682%)
- linmin: converged after 3 iterations.
- iteration 51: trace = 2.455483823273219 (0.00910679% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 2.455406692493493 (0.00314121% change)
- linmin: converged after 5 iterations.
- iteration 53: trace = 2.45534500656597 (0.00251228% change)
- large trace change predicted (0.00508812%)
- linmin: converged after 3 iterations.
- iteration 54: trace = 2.455219784774919 (0.0051001% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 2.455179404957257 (0.00164467% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 2.455132067683953 (0.00192808% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 2.455082993179066 (0.00199887% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 2.455065990994846 (0.000692532% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 2.455039195062922 (0.00109146% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 2.45500771118878 (0.00128243% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 2.454994438728737 (0.00054063% change)
- large trace change predicted (0.00171818%)
- linmin: converged after 3 iterations.
- iteration 62: trace = 2.454952189992032 (0.00172094% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 2.454876585849618 (0.00307971% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 2.454854300869789 (0.000907788% change)
- large trace change predicted (0.00569488%)
- linmin: converged after 4 iterations.
- iteration 65: trace = 2.454714694019299 (0.00568713% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 2.454624975040771 (0.00365503% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 2.45457530223749 (0.00202366% change)
- large trace change predicted (0.0062657%)
- linmin: converged after 4 iterations.
- iteration 68: trace = 2.454421988937807 (0.00624622% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 2.454353550269073 (0.00278842% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 2.454327016494556 (0.0010811% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 2.454277390885514 (0.00202198% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 2.454243048471604 (0.0013993% change)
- linmin: converged after 5 iterations.
- iteration 73: trace = 2.454222272437312 (0.000846539% change)
- linmin: converged after 9 iterations.
- iteration 74: trace = 2.454184860170908 (0.00152442% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 2.454170636275528 (0.000579579% change)
- linmin: converged after 5 iterations.
- iteration 76: trace = 2.454152682757256 (0.000731554% change)
- linmin: converged after 5 iterations.
- iteration 77: trace = 2.454135393107265 (0.000704508% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 2.454127763230099 (0.000310899% change)
- linmin: converged after 6 iterations.
- iteration 79: trace = 2.454116641207926 (0.000453198% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 2.454100874828616 (0.000642448% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 2.454095378223422 (0.000223977% change)
- large trace change predicted (0.000568781%)
- linmin: converged after 3 iterations.
- iteration 82: trace = 2.454081421269703 (0.000568723% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 2.454062352865409 (0.000777011% change)
- linmin: converged after 6 iterations.
- iteration 84: trace = 2.45405109984487 (0.000458548% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 2.454030977801129 (0.000819955% change)
- linmin: converged after 5 iterations.
- iteration 86: trace = 2.454004108702677 (0.0010949% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 2.453991364569639 (0.000519321% change)
- large trace change predicted (0.00138482%)
- linmin: converged after 4 iterations.
- iteration 88: trace = 2.45395739259282 (0.00138437% change)
- linmin: converged after 6 iterations.
- iteration 89: trace = 2.453918823166042 (0.00157174% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 2.45389448882618 (0.000991657% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 2.453860285099449 (0.00139386% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 2.453827450047189 (0.00133811% change)
- linmin: converged after 3 iterations.
- iteration 93: trace = 2.453820252857478 (0.000293305% change)
- large trace change predicted (0.0012793%)
- linmin: converged after 4 iterations.
- iteration 94: trace = 2.453788863224406 (0.00127922% change)
- linmin: converged after 4 iterations.
- iteration 95: trace = 2.453781946499955 (0.00028188% change)
- large trace change predicted (0.000821764%)
- linmin: converged after 6 iterations.
- iteration 96: trace = 2.453761797235113 (0.000821155% change)
- linmin: converged after 3 iterations.
- iteration 97: trace = 2.453746361645881 (0.00062906% change)
- linmin: converged after 3 iterations.
- iteration 98: trace = 2.453733612248639 (0.00051959% change)
- linmin: converged after 7 iterations.
- iteration 99: trace = 2.453727671009575 (0.000242131% change)
- large trace change predicted (0.000528031%)
- linmin: converged after 4 iterations.
- iteration 100: trace = 2.453714712926722 (0.000528099% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 2.453708305626924 (0.000261127% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 2.453701076402193 (0.000294625% change)
- large trace change predicted (0.00065191%)
- linmin: converged after 4 iterations.
- iteration 103: trace = 2.453685087330305 (0.000651633% change)
- linmin: converged after 3 iterations.
- iteration 104: trace = 2.453674225179957 (0.000442688% change)
- large trace change predicted (0.000944268%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 2.453651066587232 (0.000943838% change)
- large trace change predicted (0.00209471%)
- linmin: converged after 4 iterations.
- iteration 106: trace = 2.453599505384211 (0.00210143% change)
- linmin: converged after 5 iterations.
- iteration 107: trace = 2.453582835442093 (0.00067941% change)
- large trace change predicted (0.00176196%)
- linmin: converged after 3 iterations.
- iteration 108: trace = 2.453539425951453 (0.00176924% change)
- linmin: converged after 3 iterations.
- iteration 109: trace = 2.45347778408187 (0.0025124% change)
- linmin: converged after 4 iterations.
- iteration 110: trace = 2.453464638519382 (0.000535794% change)
- large trace change predicted (0.00221849%)
- linmin: converged after 3 iterations.
- iteration 111: trace = 2.453410122390943 (0.00222203% change)
- linmin: converged after 4 iterations.
- iteration 112: trace = 2.453385543652673 (0.00100182% change)
- linmin: converged after 3 iterations.
- iteration 113: trace = 2.453376194131596 (0.000381087% change)
- large trace change predicted (0.00112562%)
- linmin: converged after 10 iterations.
- iteration 114: trace = 2.453348578245827 (0.00112563% change)
- linmin: converged after 3 iterations.
- iteration 115: trace = 2.453338345520876 (0.000417093% change)
- linmin: converged after 6 iterations.
- iteration 116: trace = 2.453328301306341 (0.000409411% change)
- linmin: converged after 3 iterations.
- iteration 117: trace = 2.453315434920004 (0.000524448% change)
- linmin: converged after 3 iterations.
- iteration 118: trace = 2.453301865852209 (0.000553093% change)
- linmin: converged after 3 iterations.
- iteration 119: trace = 2.453295841849039 (0.000245547% change)
- large trace change predicted (0.000595206%)
- linmin: converged after 4 iterations.
- iteration 120: trace = 2.453281236975756 (0.000595318% change)
- linmin: converged after 3 iterations.
- iteration 121: trace = 2.453275432046294 (0.000236619% change)
- large trace change predicted (0.000476219%)
- linmin: converged after 3 iterations.
- iteration 122: trace = 2.453263754904908 (0.000475983% change)
- linmin: converged after 4 iterations.
- iteration 123: trace = 2.453247003676034 (0.000682816% change)
- linmin: converged after 4 iterations.
- iteration 124: trace = 2.453236665069777 (0.000421426% change)
- large trace change predicted (0.00103912%)
- linmin: converged after 3 iterations.
- iteration 125: trace = 2.453211127274053 (0.00104099% change)
- linmin: converged after 3 iterations.
- iteration 126: trace = 2.453161537989081 (0.00202142% change)
- linmin: converged after 3 iterations.
- iteration 127: trace = 2.453137345994403 (0.000986161% change)
- large trace change predicted (0.00307389%)
- linmin: converged after 3 iterations.
- iteration 128: trace = 2.453061652253304 (0.00308564% change)
- linmin: converged after 3 iterations.
- iteration 129: trace = 2.452970789505381 (0.00370412% change)
- linmin: converged after 4 iterations.
- iteration 130: trace = 2.452952081275762 (0.000762679% change)
- linmin: converged after 3 iterations.
- iteration 131: trace = 2.452919556217591 (0.00132596% change)
- linmin: converged after 3 iterations.
- iteration 132: trace = 2.45289705839666 (0.00091719% change)
- linmin: converged after 3 iterations.
- iteration 133: trace = 2.452890291786226 (0.000275862% change)
- large trace change predicted (0.0012815%)
- linmin: converged after 3 iterations.
- iteration 134: trace = 2.45285884203567 (0.00128216% change)
- linmin: converged after 3 iterations.
- iteration 135: trace = 2.452842142353985 (0.000680828% change)
- linmin: converged after 5 iterations.
- iteration 136: trace = 2.452828597087275 (0.000552229% change)
- linmin: converged after 4 iterations.
- iteration 137: trace = 2.452814237817685 (0.000585418% change)
- linmin: converged after 4 iterations.
- iteration 138: trace = 2.452797884596636 (0.000666715% change)
- linmin: converged after 3 iterations.
- iteration 139: trace = 2.452782688814807 (0.00061953% change)
- resetting CG direction...
- linmin: converged after 6 iterations.
- iteration 140: trace = 2.452772570838299 (0.000412511% change)
- linmin: converged after 3 iterations.
- iteration 141: trace = 2.452765277704286 (0.000297343% change)
- linmin: converged after 3 iterations.
- iteration 142: trace = 2.452757177275971 (0.000330258% change)
- linmin: converged after 3 iterations.
- iteration 143: trace = 2.45275054020818 (0.000270597% change)
- linmin: converged after 6 iterations.
- iteration 144: trace = 2.452740078102712 (0.000426547% change)
- linmin: converged after 3 iterations.
- iteration 145: trace = 2.452727557207261 (0.000510487% change)
- linmin: converged after 18 iterations.
- iteration 146: trace = 2.452721545794444 (0.000245091% change)
- large trace change predicted (0.000699793%)
- linmin: converged after 7 iterations.
- iteration 147: trace = 2.45270438334119 (0.000699733% change)
- linmin: converged after 4 iterations.
- iteration 148: trace = 2.452683587709759 (0.000847869% change)
- linmin: converged after 3 iterations.
- iteration 149: trace = 2.45267548035887 (0.000330551% change)
- large trace change predicted (0.000951637%)
- linmin: converged after 4 iterations.
- iteration 150: trace = 2.452652194608251 (0.000949407% change)
- linmin: converged after 5 iterations.
- iteration 151: trace = 2.452626253195069 (0.00105769% change)
- linmin: converged after 3 iterations.
- iteration 152: trace = 2.452610439822919 (0.000644755% change)
- linmin: converged after 4 iterations.
- iteration 153: trace = 2.452596637962825 (0.000562743% change)
- linmin: converged after 7 iterations.
- iteration 154: trace = 2.452581427899597 (0.000620164% change)
- linmin: converged after 6 iterations.
- iteration 155: trace = 2.452577712274604 (0.000151499% change)
- large trace change predicted (0.000381839%)
- linmin: converged after 7 iterations.
- iteration 156: trace = 2.452568349809934 (0.000381741% change)
- linmin: converged after 4 iterations.
- iteration 157: trace = 2.452559675257392 (0.000353693% change)
- linmin: converged after 4 iterations.
- iteration 158: trace = 2.45255737876787 (9.36365e-05% change)
- large trace change predicted (0.000272619%)
- linmin: converged after 4 iterations.
- iteration 159: trace = 2.45255069313247 (0.000272599% change)
- linmin: converged after 3 iterations.
- iteration 160: trace = 2.452546275616604 (0.000180119% change)
- linmin: converged after 3 iterations.
- iteration 161: trace = 2.452544527278531 (7.12867e-05% change)
- large trace change predicted (0.000198491%)
- linmin: converged after 4 iterations.
- iteration 162: trace = 2.452539659430474 (0.000198482% change)
- linmin: converged after 3 iterations.
- iteration 163: trace = 2.452534999193734 (0.000190017% change)
- linmin: converged after 5 iterations.
- iteration 164: trace = 2.452531349661507 (0.000148807% change)
- linmin: converged after 3 iterations.
- iteration 165: trace = 2.452525840176924 (0.000224645% change)
- linmin: converged after 3 iterations.
- iteration 166: trace = 2.45251659721641 (0.000376876% change)
- linmin: converged after 3 iterations.
- iteration 167: trace = 2.452512716096344 (0.000158251% change)
- large trace change predicted (0.000782672%)
- linmin: converged after 3 iterations.
- iteration 168: trace = 2.452493494599059 (0.00078375% change)
- linmin: converged after 3 iterations.
- iteration 169: trace = 2.452486808577861 (0.000272622% change)
- large trace change predicted (0.000588015%)
- linmin: converged after 3 iterations.
- iteration 170: trace = 2.452472378944101 (0.000588369% change)
- linmin: converged after 3 iterations.
- iteration 171: trace = 2.452455774176158 (0.000677065% change)
- linmin: converged after 3 iterations.
- iteration 172: trace = 2.452448229987636 (0.000307618% change)
- linmin: converged after 3 iterations.
- iteration 173: trace = 2.452434929310388 (0.000542344% change)
- linmin: converged after 3 iterations.
- iteration 174: trace = 2.452422235944708 (0.000517583% change)
- linmin: converged after 3 iterations.
- iteration 175: trace = 2.452418708502169 (0.000143835% change)
- large trace change predicted (0.000386489%)
- linmin: converged after 3 iterations.
- iteration 176: trace = 2.452409228696467 (0.00038655% change)
- linmin: converged after 3 iterations.
- iteration 177: trace = 2.45240024885704 (0.000366165% change)
- linmin: converged after 4 iterations.
- iteration 178: trace = 2.452397991151999 (9.20611e-05% change)
- large trace change predicted (0.000271156%)
- linmin: converged after 3 iterations.
- iteration 179: trace = 2.452391339126951 (0.000271246% change)
- linmin: converged after 3 iterations.
- iteration 180: trace = 2.452386970176984 (0.000178151% change)
- linmin: converged after 3 iterations.
- iteration 181: trace = 2.452385697130597 (5.19105e-05% change)
- large trace change predicted (0.000170125%)
- linmin: converged after 3 iterations.
- iteration 182: trace = 2.452381525032257 (0.000170124% change)
- linmin: converged after 3 iterations.
- iteration 183: trace = 2.452378255486216 (0.000133321% change)
- linmin: converged after 3 iterations.
- iteration 184: trace = 2.452377028242287 (5.0043e-05% change)
- large trace change predicted (0.000164555%)
- linmin: converged after 3 iterations.
- iteration 185: trace = 2.452372992755737 (0.000164554% change)
- linmin: converged after 4 iterations.
- iteration 186: trace = 2.452368850383033 (0.000168913% change)
- linmin: converged after 3 iterations.
- iteration 187: trace = 2.452366912889036 (7.9005e-05% change)
- large trace change predicted (0.000417383%)
- linmin: converged after 7 iterations.
- iteration 188: trace = 2.452356678344031 (0.000417334% change)
- linmin: converged after 3 iterations.
- iteration 189: trace = 2.452350276352157 (0.000261055% change)
- linmin: converged after 4 iterations.
- iteration 190: trace = 2.452345971237587 (0.000175551% change)
- large trace change predicted (0.000560503%)
- linmin: converged after 4 iterations.
- iteration 191: trace = 2.452332231135114 (0.000560286% change)
- linmin: converged after 4 iterations.
- iteration 192: trace = 2.452329110713686 (0.000127243% change)
- large trace change predicted (0.00045039%)
- linmin: converged after 3 iterations.
- iteration 193: trace = 2.452318069706833 (0.000450226% change)
- linmin: converged after 5 iterations.
- iteration 194: trace = 2.452310488056405 (0.000309163% change)
- linmin: converged after 3 iterations.
- iteration 195: trace = 2.452306394220442 (0.000166938% change)
- linmin: converged after 5 iterations.
- iteration 196: trace = 2.452300351418192 (0.000246413% change)
- linmin: converged after 4 iterations.
- iteration 197: trace = 2.452293868489042 (0.000264361% change)
- linmin: converged after 3 iterations.
- iteration 198: trace = 2.452292566759137 (5.30821e-05% change)
- large trace change predicted (0.000201454%)
- linmin: converged after 3 iterations.
- iteration 199: trace = 2.45228762671193 (0.000201446% change)
- linmin: converged after 3 iterations.
- iteration 200: trace = 2.452285322655437 (9.39554e-05% change)
- linmin: converged after 3 iterations.
- iteration 201: trace = 2.452284130416469 (4.86175e-05% change)
- large trace change predicted (0.000116573%)
- linmin: converged after 3 iterations.
- iteration 202: trace = 2.452281271627409 (0.000116577% change)
- linmin: converged after 3 iterations.
- iteration 203: trace = 2.452278294145548 (0.000121417% change)
- linmin: converged after 4 iterations.
- iteration 204: trace = 2.452277204502076 (4.44339e-05% change)
- large trace change predicted (0.000108693%)
- linmin: converged after 3 iterations.
- iteration 205: trace = 2.45227453846246 (0.000108717% change)
- linmin: converged after 5 iterations.
- iteration 206: trace = 2.452269291426804 (0.000213966% change)
- linmin: converged after 3 iterations.
- iteration 207: trace = 2.452267662169495 (6.64388e-05% change)
- large trace change predicted (0.000296096%)
- linmin: converged after 3 iterations.
- iteration 208: trace = 2.452260396215607 (0.000296296% change)
- linmin: converged after 3 iterations.
- iteration 209: trace = 2.45225166485298 (0.000356054% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 210: trace = 2.452247439278862 (0.000172314% change)
- linmin: converged after 7 iterations.
- iteration 211: trace = 2.452239779758671 (0.000312347% change)
- linmin: converged after 3 iterations.
- iteration 212: trace = 2.452237367957184 (9.8351e-05% change)
- linmin: converged after 3 iterations.
- iteration 213: trace = 2.452234809025892 (0.000104351% change)
- linmin: converged after 15 iterations.
- iteration 214: trace = 2.452231354286834 (0.000140881% change)
- linmin: converged after 3 iterations.
- iteration 215: trace = 2.452230005968953 (5.49833e-05% change)
- linmin: converged after 3 iterations.
- iteration 216: trace = 2.452227905128951 (8.56706e-05% change)
- linmin: converged after 4 iterations.
- iteration 217: trace = 2.452225535367658 (9.66371e-05% change)
- linmin: converged after 3 iterations.
- iteration 218: trace = 2.452224453689048 (4.41101e-05% change)
- linmin: converged after 4 iterations.
- iteration 219: trace = 2.452222322762348 (8.68977e-05% change)
- linmin: converged after 4 iterations.
- iteration 220: trace = 2.452219719417787 (0.000106163% change)
- linmin: converged after 3 iterations.
- iteration 221: trace = 2.452218183218178 (6.26453e-05% change)
- linmin: converged after 4 iterations.
- iteration 222: trace = 2.452216459608282 (7.02878e-05% change)
- large trace change predicted (0.000179911%)
- linmin: converged after 5 iterations.
- iteration 223: trace = 2.452212045492919 (0.000180005% change)
- linmin: converged after 4 iterations.
- iteration 224: trace = 2.452210586190468 (5.95097e-05% change)
- large trace change predicted (0.000210216%)
- linmin: converged after 3 iterations.
- iteration 225: trace = 2.452205427108979 (0.000210385% change)
- linmin: converged after 4 iterations.
- iteration 226: trace = 2.452199607805635 (0.000237309% change)
- linmin: converged after 5 iterations.
- iteration 227: trace = 2.452195910523776 (0.000150774% change)
- linmin: converged after 3 iterations.
- iteration 228: trace = 2.452193302147046 (0.000106369% change)
- large trace change predicted (0.000330405%)
- linmin: converged after 4 iterations.
- iteration 229: trace = 2.45218519915589 (0.000330439% change)
- linmin: converged after 7 iterations.
- iteration 230: trace = 2.45218126004048 (0.000160637% change)
- linmin: converged after 3 iterations.
- iteration 231: trace = 2.452177953320755 (0.000134848% change)
- linmin: converged after 3 iterations.
- iteration 232: trace = 2.452171855617065 (0.000248665% change)
- linmin: converged after 4 iterations.
- iteration 233: trace = 2.452170729833905 (4.59096e-05% change)
- large trace change predicted (0.000155844%)
- linmin: converged after 3 iterations.
- iteration 234: trace = 2.452166905938778 (0.000155939% change)
- linmin: converged after 3 iterations.
- iteration 235: trace = 2.452164946747112 (7.98964e-05% change)
- linmin: converged after 4 iterations.
- iteration 236: trace = 2.452163392132787 (6.33976e-05% change)
- linmin: converged after 3 iterations.
- iteration 237: trace = 2.452162131133532 (5.1424e-05% change)
- large trace change predicted (0.000129359%)
- linmin: converged after 3 iterations.
- iteration 238: trace = 2.452158958413194 (0.000129385% change)
- linmin: converged after 3 iterations.
- iteration 239: trace = 2.452158275174888 (2.78627e-05% change)
- large trace change predicted (0.00012237%)
- linmin: converged after 3 iterations.
- iteration 240: trace = 2.452155274307407 (0.000122377% change)
- linmin: converged after 9 iterations.
- iteration 241: trace = 2.452152615587393 (0.000108424% change)
- linmin: converged after 4 iterations.
- iteration 242: trace = 2.452151636431322 (3.99305e-05% change)
- large trace change predicted (0.000164569%)
- linmin: converged after 12 iterations.
- iteration 243: trace = 2.452147601355149 (0.000164553% change)
- linmin: converged after 5 iterations.
- iteration 244: trace = 2.452144621795718 (0.000121508% change)
- linmin: converged after 3 iterations.
- iteration 245: trace = 2.452142412523164 (9.00956e-05% change)
- large trace change predicted (0.000214265%)
- linmin: converged after 3 iterations.
- iteration 246: trace = 2.452137160888456 (0.000214165% change)
- linmin: converged after 3 iterations.
- iteration 247: trace = 2.452129275312435 (0.00032158% change)
- linmin: converged after 6 iterations.
- iteration 248: trace = 2.452126372462974 (0.000118381% change)
- large trace change predicted (0.000459561%)
- linmin: converged after 14 iterations.
- iteration 249: trace = 2.452115115152491 (0.000459085% change)
- linmin: converged after 4 iterations.
- iteration 250: trace = 2.452111763758238 (0.000136674% change)
- large trace change predicted (0.000297415%)
- linmin: converged after 19 iterations.
- iteration 251: trace = 2.452104477533321 (0.000297141% change)
- linmin: converged after 3 iterations.
- iteration 252: trace = 2.452100076548783 (0.000179478% change)
- linmin: converged after 3 iterations.
- iteration 253: trace = 2.452096031095323 (0.000164979% change)
- linmin: converged after 5 iterations.
- iteration 254: trace = 2.452094830732901 (4.89525e-05% change)
- large trace change predicted (0.000113346%)
- linmin: converged after 3 iterations.
- iteration 255: trace = 2.452092051510675 (0.000113341% change)
- linmin: converged after 5 iterations.
- iteration 256: trace = 2.452090752207555 (5.29875e-05% change)
- linmin: converged after 3 iterations.
- iteration 257: trace = 2.45208986655014 (3.61185e-05% change)
- large trace change predicted (0.000100902%)
- linmin: converged after 8 iterations.
- iteration 258: trace = 2.452087392480153 (0.000100896% change)
- linmin: converged after 22 iterations.
- iteration 259: trace = 2.452086383958461 (4.11291e-05% change)
- linmin: converged after 5 iterations.
- iteration 260: trace = 2.452085152469943 (5.02221e-05% change)
- linmin: converged after 4 iterations.
- iteration 261: trace = 2.452082753116231 (9.78496e-05% change)
- linmin: converged after 3 iterations.
- iteration 262: trace = 2.452081334342666 (5.786e-05% change)
- large trace change predicted (0.000154627%)
- linmin: converged after 3 iterations.
- iteration 263: trace = 2.452077542649516 (0.000154632% change)
- linmin: converged after 4 iterations.
- iteration 264: trace = 2.452071671681119 (0.000239429% change)
- linmin: converged after 4 iterations.
- iteration 265: trace = 2.452069632272992 (8.31709e-05% change)
- large trace change predicted (0.000180755%)
- linmin: converged after 5 iterations.
- iteration 266: trace = 2.452065198993772 (0.000180798% change)
- linmin: converged after 7 iterations.
- iteration 267: trace = 2.452056950140556 (0.000336405% change)
- linmin: converged after 4 iterations.
- iteration 268: trace = 2.45205409803041 (0.000116315% change)
- large trace change predicted (0.000275497%)
- linmin: converged after 3 iterations.
- iteration 269: trace = 2.452047328173189 (0.00027609% change)
- linmin: converged after 3 iterations.
- iteration 270: trace = 2.452040138586268 (0.000293208% change)
- linmin: converged after 3 iterations.
- iteration 271: trace = 2.452038580574617 (6.35394e-05% change)
- large trace change predicted (0.0002236%)
- linmin: converged after 3 iterations.
- iteration 272: trace = 2.452033093357528 (0.000223782% change)
- linmin: converged after 3 iterations.
- iteration 273: trace = 2.452029212615683 (0.000158266% change)
- linmin: converged after 3 iterations.
- iteration 274: trace = 2.452028342406178 (3.54894e-05% change)
- large trace change predicted (9.60583e-05%)
- linmin: converged after 3 iterations.
- iteration 275: trace = 2.452025986550546 (9.60779e-05% change)
- linmin: converged after 3 iterations.
- iteration 276: trace = 2.452024019452791 (8.02234e-05% change)
- linmin: converged after 3 iterations.
- iteration 277: trace = 2.452023473159935 (2.22793e-05% change)
- large trace change predicted (0.000123007%)
- linmin: converged after 5 iterations.
- iteration 278: trace = 2.452020456805498 (0.000123015% change)
- linmin: converged after 4 iterations.
- iteration 279: trace = 2.45201452953042 (0.000241731% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 280: trace = 2.452009727461228 (0.000195842% change)
- linmin: converged after 4 iterations.
- iteration 281: trace = 2.452007540531449 (8.91893e-05% change)
- linmin: converged after 5 iterations.
- iteration 282: trace = 2.452006657649647 (3.60065e-05% change)
- linmin: converged after 3 iterations.
- iteration 283: trace = 2.45200532183798 (5.44783e-05% change)
- linmin: converged after 3 iterations.
- iteration 284: trace = 2.452003115505384 (8.99808e-05% change)
- linmin: converged after 3 iterations.
- iteration 285: trace = 2.45200235583181 (3.09818e-05% change)
- large trace change predicted (8.11842e-05%)
- linmin: converged after 3 iterations.
- iteration 286: trace = 2.452000366439965 (8.11334e-05% change)
- linmin: converged after 12 iterations.
- iteration 287: trace = 2.451996418703733 (0.000161001% change)
- linmin: converged after 3 iterations.
- iteration 288: trace = 2.451995334938363 (4.41993e-05% change)
- large trace change predicted (0.000170194%)
- linmin: converged after 5 iterations.
- iteration 289: trace = 2.451991166288022 (0.000170011% change)
- linmin: converged after 4 iterations.
- iteration 290: trace = 2.451986280180539 (0.000199271% change)
- linmin: converged after 4 iterations.
- iteration 291: trace = 2.451984139544748 (8.73021e-05% change)
- linmin: converged after 3 iterations.
- iteration 292: trace = 2.451980067482785 (0.000166072% change)
- linmin: converged after 7 iterations.
- iteration 293: trace = 2.451974677609453 (0.000219817% change)
- linmin: converged after 3 iterations.
- iteration 294: trace = 2.45197381669557 (3.5111e-05% change)
- large trace change predicted (0.000145934%)
- linmin: converged after 11 iterations.
- iteration 295: trace = 2.451970240797099 (0.000145838% change)
- linmin: converged after 4 iterations.
- iteration 296: trace = 2.451968866179818 (5.60618e-05% change)
- linmin: converged after 4 iterations.
- iteration 297: trace = 2.451967957960132 (3.70404e-05% change)
- linmin: converged after 3 iterations.
- iteration 298: trace = 2.451966311815795 (6.71357e-05% change)
- linmin: converged after 16 iterations.
- iteration 299: trace = 2.451965168062407 (4.66464e-05% change)
- linmin: converged after 3 iterations.
- iteration 300: trace = 2.451964505865855 (2.70068e-05% change)
- linmin: converged after 3 iterations.
- iteration 301: trace = 2.451963500671679 (4.09955e-05% change)
- linmin: converged after 3 iterations.
- iteration 302: trace = 2.451962964343065 (2.18734e-05% change)
- linmin: converged after 3 iterations.
- iteration 303: trace = 2.451962083481351 (3.59248e-05% change)
- large trace change predicted (7.403e-05%)
- linmin: converged after 3 iterations.
- iteration 304: trace = 2.451960267768574 (7.40514e-05% change)
- linmin: converged after 4 iterations.
- iteration 305: trace = 2.451959240259281 (4.19056e-05% change)
- linmin: converged after 4 iterations.
- iteration 306: trace = 2.45195840324676 (3.41365e-05% change)
- large trace change predicted (9.86787e-05%)
- linmin: converged after 4 iterations.
- iteration 307: trace = 2.451955982741342 (9.87173e-05% change)
- linmin: converged after 3 iterations.
- iteration 308: trace = 2.451953841268762 (8.73374e-05% change)
- linmin: converged after 4 iterations.
- iteration 309: trace = 2.45195130880107 (0.000103284% change)
- linmin: converged after 3 iterations.
- iteration 310: trace = 2.451947245150415 (0.000165731% change)
- linmin: converged after 3 iterations.
- iteration 311: trace = 2.451945802462522 (5.88385e-05% change)
- large trace change predicted (0.000140241%)
- linmin: converged after 5 iterations.
- iteration 312: trace = 2.451942362711292 (0.000140287% change)
- linmin: converged after 3 iterations.
- iteration 313: trace = 2.451939479922509 (0.000117572% change)
- linmin: converged after 3 iterations.
- iteration 314: trace = 2.451938683602901 (3.24771e-05% change)
- large trace change predicted (8.36285e-05%)
- linmin: converged after 3 iterations.
- iteration 315: trace = 2.451936632622227 (8.36473e-05% change)
- linmin: converged after 3 iterations.
- iteration 316: trace = 2.451935089349582 (6.2941e-05% change)
- linmin: converged after 3 iterations.
- iteration 317: trace = 2.451934541920565 (2.23264e-05% change)
- large trace change predicted (6.49707e-05%)
- linmin: converged after 4 iterations.
- iteration 318: trace = 2.451932948678755 (6.4979e-05% change)
- linmin: converged after 3 iterations.
- iteration 319: trace = 2.45193165637232 (5.27056e-05% change)
- linmin: converged after 13 iterations.
- iteration 320: trace = 2.45193107924358 (2.35377e-05% change)
- linmin: converged after 4 iterations.
- iteration 321: trace = 2.451930344007868 (2.9986e-05% change)
- linmin: converged after 3 iterations.
- iteration 322: trace = 2.451929427592482 (3.73753e-05% change)
- linmin: converged after 2 iterations.
- iteration 323: trace = 2.451929215890909 (8.63408e-06% change)
- large trace change predicted (3.87992e-05%)
- linmin: converged after 4 iterations.
- iteration 324: trace = 2.451928264644343 (3.87958e-05% change)
- linmin: converged after 3 iterations.
- iteration 325: trace = 2.451927466356714 (3.25575e-05% change)
- linmin: converged after 4 iterations.
- iteration 326: trace = 2.451927088765477 (1.53998e-05% change)
- large trace change predicted (5.28495e-05%)
- linmin: converged after 3 iterations.
- iteration 327: trace = 2.451925793408558 (5.28302e-05% change)
- linmin: converged after 4 iterations.
- iteration 328: trace = 2.451924386804797 (5.73673e-05% change)
- linmin: converged after 3 iterations.
- iteration 329: trace = 2.451922993346532 (5.68312e-05% change)
- linmin: converged after 4 iterations.
- iteration 330: trace = 2.451921069340289 (7.84693e-05% change)
- linmin: converged after 3 iterations.
- iteration 331: trace = 2.451918495340491 (0.000104979% change)
- linmin: converged after 3 iterations.
- iteration 332: trace = 2.451917611962545 (3.6028e-05% change)
- large trace change predicted (9.67494e-05%)
- linmin: converged after 3 iterations.
- iteration 333: trace = 2.451915239937596 (9.67417e-05% change)
- linmin: converged after 7 iterations.
- iteration 334: trace = 2.451914264872701 (3.97675e-05% change)
- linmin: converged after 4 iterations.
- iteration 335: trace = 2.451913114917563 (4.69003e-05% change)
- linmin: converged after 4 iterations.
- iteration 336: trace = 2.451911892528864 (4.98545e-05% change)
- linmin: converged after 3 iterations.
- iteration 337: trace = 2.451911121514247 (3.14455e-05% change)
- linmin: converged after 4 iterations.
- iteration 338: trace = 2.451910440461843 (2.77764e-05% change)
- linmin: converged after 18 iterations.
- iteration 339: trace = 2.451909413734949 (4.18746e-05% change)
- linmin: converged after 8 iterations.
- iteration 340: trace = 2.451909198007312 (8.79835e-06% change)
- large trace change predicted (2.18808e-05%)
- linmin: converged after 3 iterations.
- iteration 341: trace = 2.451908661399456 (2.18853e-05% change)
- linmin: converged after 5 iterations.
- iteration 342: trace = 2.451907853174074 (3.29631e-05% change)
- linmin: converged after 4 iterations.
- iteration 343: trace = 2.451907641293393 (8.64146e-06% change)
- large trace change predicted (2.56596e-05%)
- linmin: converged after 3 iterations.
- iteration 344: trace = 2.451907012099088 (2.56614e-05% change)
- linmin: converged after 3 iterations.
- iteration 345: trace = 2.451906446585409 (2.30642e-05% change)
- linmin: converged after 4 iterations.
- iteration 346: trace = 2.45190615307573 (1.19707e-05% change)
- large trace change predicted (5.65781e-05%)
- linmin: converged after 4 iterations.
- iteration 347: trace = 2.451904765395973 (5.6596e-05% change)
- linmin: converged after 3 iterations.
- iteration 348: trace = 2.451903258390157 (6.14627e-05% change)
- linmin: converged after 3 iterations.
- iteration 349: trace = 2.451902302053553 (3.90039e-05% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 350: trace = 2.451901444021173 (3.49946e-05% change)
- linmin: converged after 3 iterations.
- iteration 351: trace = 2.451900268699934 (4.79351e-05% change)
- linmin: converged after 3 iterations.
- iteration 352: trace = 2.451899284761674 (4.01296e-05% change)
- linmin: converged after 2 iterations.
- iteration 353: trace = 2.451898802067656 (1.96865e-05% change)
- linmin: converged after 3 iterations.
- iteration 354: trace = 2.451898177608482 (2.54684e-05% change)
- linmin: converged after 2 iterations.
- iteration 355: trace = 2.45189768562931 (2.00652e-05% change)
- linmin: converged after 3 iterations.
- iteration 356: trace = 2.45189745358336 (9.46393e-06% change)
- large trace change predicted (2.18607e-05%)
- linmin: converged after 3 iterations.
- iteration 357: trace = 2.451896917539232 (2.18624e-05% change)
- linmin: converged after 4 iterations.
- iteration 358: trace = 2.451896216910838 (2.8575e-05% change)
- linmin: converged after 4 iterations.
- iteration 359: trace = 2.451896071765771 (5.91971e-06% change)
- large trace change predicted (2.86503e-05%)
- linmin: converged after 3 iterations.
- iteration 360: trace = 2.45189536910911 (2.86577e-05% change)
- linmin: converged after 4 iterations.
- iteration 361: trace = 2.451894829568567 (2.2005e-05% change)
- linmin: converged after 4 iterations.
- iteration 362: trace = 2.451894548518837 (1.14626e-05% change)
- large trace change predicted (3.82963e-05%)
- linmin: converged after 3 iterations.
- iteration 363: trace = 2.451893609166292 (3.83113e-05% change)
- linmin: converged after 3 iterations.
- iteration 364: trace = 2.451892360793373 (5.09147e-05% change)
- linmin: converged after 3 iterations.
- iteration 365: trace = 2.451891978130545 (1.56068e-05% change)
- large trace change predicted (5.50288e-05%)
- linmin: converged after 3 iterations.
- iteration 366: trace = 2.451890628136772 (5.50593e-05% change)
- linmin: converged after 3 iterations.
- iteration 367: trace = 2.451889379817075 (5.09125e-05% change)
- linmin: converged after 3 iterations.
- iteration 368: trace = 2.451888895783192 (1.97413e-05% change)
- large trace change predicted (7.53296e-05%)
- linmin: converged after 3 iterations.
- iteration 369: trace = 2.451887047454882 (7.53839e-05% change)
- linmin: converged after 3 iterations.
- iteration 370: trace = 2.451885659953243 (5.65891e-05% change)
- linmin: converged after 3 iterations.
- iteration 371: trace = 2.451885088224141 (2.33179e-05% change)
- large trace change predicted (5.25593e-05%)
- linmin: converged after 3 iterations.
- iteration 372: trace = 2.451883799252872 (5.25706e-05% change)
- linmin: converged after 3 iterations.
- iteration 373: trace = 2.451882959846034 (3.42352e-05% change)
- linmin: converged after 2 iterations.
- iteration 374: trace = 2.451882637851984 (1.31325e-05% change)
- large trace change predicted (2.6608e-05%)
- linmin: converged after 4 iterations.
- iteration 375: trace = 2.451881985403601 (2.66101e-05% change)
- linmin: converged after 4 iterations.
- iteration 376: trace = 2.451881666409702 (1.30102e-05% change)
- linmin: converged after 3 iterations.
- iteration 377: trace = 2.451881424707288 (9.85783e-06% change)
- large trace change predicted (2.79728e-05%)
- linmin: converged after 3 iterations.
- iteration 378: trace = 2.451880738799101 (2.79748e-05% change)
- linmin: converged after 4 iterations.
- iteration 379: trace = 2.451880312770379 (1.73756e-05% change)
- linmin: converged after 2 iterations.
- iteration 380: trace = 2.451879974325696 (1.38035e-05% change)
- large trace change predicted (3.59867e-05%)
- linmin: converged after 4 iterations.
- iteration 381: trace = 2.451879091948053 (3.59878e-05% change)
- linmin: converged after 3 iterations.
- iteration 382: trace = 2.451878586924512 (2.05974e-05% change)
- linmin: converged after 3 iterations.
- iteration 383: trace = 2.451877877061793 (2.89518e-05% change)
- linmin: converged after 3 iterations.
- iteration 384: trace = 2.451876608742854 (5.17285e-05% change)
- linmin: converged after 11 iterations.
- iteration 385: trace = 2.451875767688587 (3.43025e-05% change)
- linmin: converged after 3 iterations.
- iteration 386: trace = 2.451874978478529 (3.2188e-05% change)
- large trace change predicted (6.86527e-05%)
- linmin: converged after 4 iterations.
- iteration 387: trace = 2.451873296589411 (6.85961e-05% change)
- linmin: converged after 4 iterations.
- iteration 388: trace = 2.451871469758743 (7.45076e-05% change)
- linmin: converged after 4 iterations.
- iteration 389: trace = 2.451870287619347 (4.82138e-05% change)
- linmin: converged after 4 iterations.
- iteration 390: trace = 2.451868320179222 (8.02425e-05% change)
- linmin: converged after 3 iterations.
- iteration 391: trace = 2.451867693154867 (2.55733e-05% change)
- linmin: converged after 3 iterations.
- iteration 392: trace = 2.451866887621613 (3.28539e-05% change)
- linmin: converged after 8 iterations.
- iteration 393: trace = 2.451865955401389 (3.80208e-05% change)
- linmin: converged after 4 iterations.
- iteration 394: trace = 2.451865719980986 (9.60168e-06% change)
- large trace change predicted (1.96496e-05%)
- linmin: converged after 13 iterations.
- iteration 395: trace = 2.451865238246529 (1.96477e-05% change)
- linmin: converged after 4 iterations.
- iteration 396: trace = 2.451864655613975 (2.37628e-05% change)
- linmin: converged after 5 iterations.
- iteration 397: trace = 2.4518644474754 (8.48899e-06% change)
- large trace change predicted (1.99883e-05%)
- linmin: converged after 3 iterations.
- iteration 398: trace = 2.451863957428071 (1.99867e-05% change)
- linmin: converged after 3 iterations.
- iteration 399: trace = 2.451863487062912 (1.9184e-05% change)
- linmin: converged after 4 iterations.
- iteration 400: trace = 2.451863223688848 (1.07418e-05% change)
- linmin: converged after 3 iterations.
- iteration 401: trace = 2.451862707241005 (2.10635e-05% change)
- large trace change predicted (4.31309e-05%)
- linmin: converged after 3 iterations.
- iteration 402: trace = 2.451861649539083 (4.31387e-05% change)
- linmin: converged after 5 iterations.
- iteration 403: trace = 2.451861281443321 (1.50129e-05% change)
- large trace change predicted (4.96566e-05%)
- linmin: converged after 3 iterations.
- iteration 404: trace = 2.451860063359621 (4.968e-05% change)
- linmin: converged after 3 iterations.
- iteration 405: trace = 2.451858706397193 (5.53442e-05% change)
- linmin: converged after 4 iterations.
- iteration 406: trace = 2.451858184270854 (2.12951e-05% change)
- large trace change predicted (7.72358e-05%)
- linmin: converged after 5 iterations.
- iteration 407: trace = 2.451856289454036 (7.72809e-05% change)
- linmin: converged after 3 iterations.
- iteration 408: trace = 2.451854717228413 (6.41239e-05% change)
- linmin: converged after 3 iterations.
- iteration 409: trace = 2.451854037873246 (2.77078e-05% change)
- linmin: converged after 3 iterations.
- iteration 410: trace = 2.451852767897514 (5.17966e-05% change)
- linmin: converged after 3 iterations.
- iteration 411: trace = 2.451851776527858 (4.04335e-05% change)
- linmin: converged after 3 iterations.
- iteration 412: trace = 2.451851360826138 (1.69546e-05% change)
- large trace change predicted (4.12842e-05%)
- linmin: converged after 3 iterations.
- iteration 413: trace = 2.451850348447989 (4.12904e-05% change)
- linmin: converged after 4 iterations.
- iteration 414: trace = 2.451849942354363 (1.65627e-05% change)
- linmin: converged after 3 iterations.
- iteration 415: trace = 2.451849601948214 (1.38836e-05% change)
- linmin: converged after 3 iterations.
- iteration 416: trace = 2.45184923699037 (1.4885e-05% change)
- linmin: converged after 3 iterations.
- iteration 417: trace = 2.4518487558609 (1.96231e-05% change)
- linmin: converged after 2 iterations.
- iteration 418: trace = 2.451848412291829 (1.40127e-05% change)
- large trace change predicted (0.00028451%)
- linmin: converged after 4 iterations.
- iteration 419: trace = 2.451841436317626 (0.000284519% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 420: trace = 2.451838601804798 (0.000115608% change)
- linmin: converged after 4 iterations.
- iteration 421: trace = 2.451836909973618 (6.90026e-05% change)
- linmin: converged after 4 iterations.
- iteration 422: trace = 2.451835802033676 (4.51882e-05% change)
- linmin: converged after 5 iterations.
- iteration 423: trace = 2.451835562032835 (9.78862e-06% change)
- linmin: converged after 2 iterations.
- iteration 424: trace = 2.451835215370466 (1.41389e-05% change)
- linmin: converged after 3 iterations.
- iteration 425: trace = 2.451834742223461 (1.92977e-05% change)
- linmin: converged after 2 iterations.
- iteration 426: trace = 2.451834622123581 (4.89837e-06% change)
- large trace change predicted (1.53283e-05%)
- linmin: converged after 5 iterations.
- iteration 427: trace = 2.451834246408475 (1.53238e-05% change)
- linmin: converged after 4 iterations.
- iteration 428: trace = 2.451833755519586 (2.00213e-05% change)
- linmin: converged after 3 iterations.
- iteration 429: trace = 2.451833441577055 (1.28044e-05% change)
- linmin: converged after 4 iterations.
- iteration 430: trace = 2.451832871304814 (2.3259e-05% change)
- linmin: converged after 3 iterations.
- iteration 431: trace = 2.451832128766152 (3.0285e-05% change)
- linmin: converged after 4 iterations.
- iteration 432: trace = 2.451831696871643 (1.76152e-05% change)
- large trace change predicted (4.8364e-05%)
- linmin: converged after 4 iterations.
- iteration 433: trace = 2.451830511790898 (4.83345e-05% change)
- linmin: converged after 3 iterations.
- iteration 434: trace = 2.451830084932789 (1.74098e-05% change)
- linmin: converged after 5 iterations.
- iteration 435: trace = 2.451829718368761 (1.49506e-05% change)
- large trace change predicted (3.22146e-05%)
- linmin: converged after 3 iterations.
- iteration 436: trace = 2.451828928830973 (3.2202e-05% change)
- linmin: converged after 4 iterations.
- iteration 437: trace = 2.451828555280068 (1.52356e-05% change)
- linmin: converged after 4 iterations.
- iteration 438: trace = 2.451828125337213 (1.75356e-05% change)
- linmin: converged after 5 iterations.
- iteration 439: trace = 2.451827555368756 (2.32467e-05% change)
- linmin: converged after 5 iterations.
- iteration 440: trace = 2.451827131496278 (1.7288e-05% change)
- linmin: converged after 4 iterations.
- iteration 441: trace = 2.451826837456072 (1.19927e-05% change)
- linmin: converged after 4 iterations.
- iteration 442: trace = 2.451826425024183 (1.68214e-05% change)
- linmin: converged after 2 iterations.
- iteration 443: trace = 2.451826327980715 (3.95801e-06% change)
- large trace change predicted (9.15843e-06%)
- linmin: converged after 2 iterations.
- iteration 444: trace = 2.451826103428814 (9.15856e-06% change)
- linmin: converged after 2 iterations.
- iteration 445: trace = 2.451825844898365 (1.05444e-05% change)
- linmin: converged after 3 iterations.
- iteration 446: trace = 2.451825711670842 (5.43381e-06% change)
- linmin: converged after 4 iterations.
- iteration 447: trace = 2.451825476833464 (9.57806e-06% change)
- linmin: converged after 6 iterations.
- iteration 448: trace = 2.45182523625104 (9.81238e-06% change)
- linmin: converged after 2 iterations.
- iteration 449: trace = 2.451825117673762 (4.83629e-06% change)
- large trace change predicted (1.42353e-05%)
- linmin: converged after 3 iterations.
- iteration 450: trace = 2.451824768562432 (1.42388e-05% change)
- large trace change predicted (2.8499e-05%)
- linmin: converged after 3 iterations.
- iteration 451: trace = 2.451824069375237 (2.8517e-05% change)
- linmin: converged after 2 iterations.
- iteration 452: trace = 2.451823856700439 (8.67415e-06% change)
- large trace change predicted (3.26671e-05%)
- linmin: converged after 4 iterations.
- iteration 453: trace = 2.451823055413986 (3.26812e-05% change)
- linmin: converged after 3 iterations.
- iteration 454: trace = 2.451822534632694 (2.12406e-05% change)
- linmin: converged after 4 iterations.
- iteration 455: trace = 2.451822278183291 (1.04595e-05% change)
- linmin: converged after 3 iterations.
- iteration 456: trace = 2.451821801070401 (1.94595e-05% change)
- linmin: converged after 3 iterations.
- iteration 457: trace = 2.451820979456362 (3.35104e-05% change)
- linmin: converged after 2 iterations.
- iteration 458: trace = 2.451820789967071 (7.72851e-06% change)
- large trace change predicted (1.9624e-05%)
- linmin: converged after 5 iterations.
- iteration 459: trace = 2.451820308753132 (1.96268e-05% change)
- linmin: converged after 4 iterations.
- iteration 460: trace = 2.451819974130427 (1.36479e-05% change)
- linmin: converged after 3 iterations.
- iteration 461: trace = 2.451819876449114 (3.98403e-06% change)
- large trace change predicted (9.35897e-06%)
- linmin: converged after 3 iterations.
- iteration 462: trace = 2.451819646985611 (9.35891e-06% change)
- linmin: converged after 6 iterations.
- iteration 463: trace = 2.451819501494014 (5.93403e-06% change)
- linmin: converged after 4 iterations.
- iteration 464: trace = 2.451819453452388 (1.95943e-06% change)
- large trace change predicted (7.48994e-06%)
- linmin: converged after 3 iterations.
- iteration 465: trace = 2.451819269819177 (7.48967e-06% change)
- linmin: converged after 3 iterations.
- iteration 466: trace = 2.451819114108615 (6.35082e-06% change)
- linmin: converged after 3 iterations.
- iteration 467: trace = 2.451819017209697 (3.95212e-06% change)
- linmin: converged after 5 iterations.
- iteration 468: trace = 2.451818837296233 (7.33796e-06% change)
- linmin: converged after 3 iterations.
- iteration 469: trace = 2.451818602208911 (9.58828e-06% change)
- linmin: converged after 2 iterations.
- iteration 470: trace = 2.451818356080005 (1.00386e-05% change)
- large trace change predicted (2.7634e-05%)
- linmin: converged after 3 iterations.
- iteration 471: trace = 2.451817678667935 (2.7629e-05% change)
- linmin: converged after 3 iterations.
- iteration 472: trace = 2.451817380165583 (1.21747e-05% change)
- linmin: converged after 4 iterations.
- iteration 473: trace = 2.451816898342992 (1.96517e-05% change)
- linmin: converged after 4 iterations.
- iteration 474: trace = 2.451816485475382 (1.68393e-05% change)
- linmin: converged after 3 iterations.
- iteration 475: trace = 2.4518162779371 (8.46467e-06% change)
- linmin: converged after 3 iterations.
- iteration 476: trace = 2.451816045785287 (9.46857e-06% change)
- linmin: converged after 11 iterations.
- iteration 477: trace = 2.451815700665402 (1.40761e-05% change)
- linmin: converged after 2 iterations.
- iteration 478: trace = 2.451815534090509 (6.79394e-06% change)
- linmin: converged after 4 iterations.
- iteration 479: trace = 2.451815426527374 (4.38708e-06% change)
- large trace change predicted (9.40697e-06%)
- linmin: converged after 3 iterations.
- iteration 480: trace = 2.451815195888033 (9.40688e-06% change)
- linmin: converged after 3 iterations.
- iteration 481: trace = 2.451815151679409 (1.8031e-06% change)
- large trace change predicted (6.46819e-06%)
- linmin: converged after 3 iterations.
- iteration 482: trace = 2.451814993092279 (6.46815e-06% change)
- linmin: converged after 4 iterations.
- iteration 483: trace = 2.451814898769976 (3.84704e-06% change)
- linmin: converged after 3 iterations.
- iteration 484: trace = 2.451814821722924 (3.14245e-06% change)
- linmin: converged after 4 iterations.
- iteration 485: trace = 2.451814729426451 (3.76441e-06% change)
- large trace change predicted (7.80835e-06%)
- linmin: converged after 2 iterations.
- iteration 486: trace = 2.451814537975693 (7.80853e-06% change)
- linmin: converged after 4 iterations.
- iteration 487: trace = 2.451814474613091 (2.58431e-06% change)
- large trace change predicted (8.30426e-06%)
- linmin: converged after 2 iterations.
- iteration 488: trace = 2.451814271007475 (8.30428e-06% change)
- linmin: converged after 2 iterations.
- iteration 489: trace = 2.451814039280148 (9.45126e-06% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 490: trace = 2.45181397042017 (2.80853e-06% change)
- large trace change predicted (6.5636e-06%)
- linmin: converged after 3 iterations.
- iteration 491: trace = 2.451813809493573 (6.56357e-06% change)
- linmin: converged after 2 iterations.
- iteration 492: trace = 2.451813652401437 (6.40718e-06% change)
- linmin: converged after 2 iterations.
- iteration 493: trace = 2.451813593204902 (2.4144e-06% change)
- large trace change predicted (7.02741e-06%)
- linmin: converged after 2 iterations.
- iteration 494: trace = 2.451813420904794 (7.02746e-06% change)
- linmin: converged after 2 iterations.
- iteration 495: trace = 2.451813311925445 (4.44485e-06% change)
- linmin: converged after 3 iterations.
- iteration 496: trace = 2.451813268333645 (1.77794e-06% change)
- large trace change predicted (4.48681e-06%)
- linmin: converged after 10 iterations.
- iteration 497: trace = 2.45181315832615 (4.48678e-06% change)
- linmin: converged after 6 iterations.
- iteration 498: trace = 2.451813072051939 (3.51879e-06% change)
- linmin: converged after 4 iterations.
- iteration 499: trace = 2.451812990208225 (3.33809e-06% change)
- linmin: converged after 3 iterations.
- iteration 500: trace = 2.451812851103136 (5.67356e-06% change)
- linmin: converged after 4 iterations.
- iteration 501: trace = 2.451812701797941 (6.08958e-06% change)
- linmin: converged after 4 iterations.
- iteration 502: trace = 2.451812642402236 (2.42252e-06% change)
- large trace change predicted (1.08472e-05%)
- linmin: converged after 3 iterations.
- iteration 503: trace = 2.451812376423422 (1.08483e-05% change)
- linmin: converged after 3 iterations.
- iteration 504: trace = 2.45181219671429 (7.32964e-06% change)
- linmin: converged after 3 iterations.
- iteration 505: trace = 2.451812031888245 (6.72262e-06% change)
- large trace change predicted (1.47998e-05%)
- linmin: converged after 4 iterations.
- iteration 506: trace = 2.451811668983072 (1.48015e-05% change)
- linmin: converged after 3 iterations.
- iteration 507: trace = 2.451811535793213 (5.4323e-06% change)
- linmin: converged after 6 iterations.
- iteration 508: trace = 2.451811302711546 (9.50651e-06% change)
- large trace change predicted (2.01283e-05%)
- linmin: converged after 3 iterations.
- iteration 509: trace = 2.451810809150256 (2.01305e-05% change)
- linmin: converged after 3 iterations.
- iteration 510: trace = 2.451810555415283 (1.03489e-05% change)
- linmin: converged after 4 iterations.
- iteration 511: trace = 2.451810455292982 (4.08361e-06% change)
- large trace change predicted (1.04831e-05%)
- linmin: converged after 3 iterations.
- iteration 512: trace = 2.451810198235681 (1.04844e-05% change)
- linmin: converged after 2 iterations.
- iteration 513: trace = 2.451810123605975 (3.04386e-06% change)
- large trace change predicted (6.34359e-06%)
- linmin: converged after 3 iterations.
- iteration 514: trace = 2.451809968056701 (6.34426e-06% change)
- linmin: converged after 23 iterations.
- iteration 515: trace = 2.451809878185027 (3.66552e-06% change)
- linmin: converged after 2 iterations.
- iteration 516: trace = 2.45180979173746 (3.52587e-06% change)
- linmin: converged after 2 iterations.
- iteration 517: trace = 2.451809703055815 (3.61699e-06% change)
- linmin: converged after 3 iterations.
- iteration 518: trace = 2.451809546049716 (6.40368e-06% change)
- linmin: converged after 3 iterations.
- iteration 519: trace = 2.45180944165795 (4.25774e-06% change)
- linmin: converged after 8 iterations.
- iteration 520: trace = 2.451809368212193 (2.99557e-06% change)
- large trace change predicted (8.31118e-06%)
- linmin: converged after 4 iterations.
- iteration 521: trace = 2.451809164454754 (8.31049e-06% change)
- linmin: converged after 5 iterations.
- iteration 522: trace = 2.451808943771632 (9.00083e-06% change)
- linmin: converged after 2 iterations.
- iteration 523: trace = 2.451808847262238 (3.93625e-06% change)
- large trace change predicted (8.65338e-06%)
- linmin: converged after 13 iterations.
- iteration 524: trace = 2.451808635094025 (8.65354e-06% change)
- linmin: converged after 5 iterations.
- iteration 525: trace = 2.451808373553239 (1.06673e-05% change)
- linmin: converged after 3 iterations.
- iteration 526: trace = 2.451808269918728 (4.22686e-06% change)
- large trace change predicted (2.52299e-05%)
- linmin: converged after 3 iterations.
- iteration 527: trace = 2.451807651595333 (2.52191e-05% change)
- linmin: converged after 5 iterations.
- iteration 528: trace = 2.451807165020936 (1.98455e-05% change)
- linmin: converged after 3 iterations.
- iteration 529: trace = 2.451807010632332 (6.29693e-06% change)
- linmin: converged after 3 iterations.
- iteration 530: trace = 2.451806790750918 (8.96814e-06% change)
- linmin: converged after 3 iterations.
- iteration 531: trace = 2.451806587138382 (8.30459e-06% change)
- linmin: converged after 3 iterations.
- iteration 532: trace = 2.451806541745118 (1.85142e-06% change)
- large trace change predicted (7.01143e-06%)
- linmin: converged after 8 iterations.
- iteration 533: trace = 2.451806369845106 (7.01116e-06% change)
- linmin: converged after 3 iterations.
- iteration 534: trace = 2.451806295741114 (3.02242e-06% change)
- linmin: converged after 7 iterations.
- iteration 535: trace = 2.451806242803898 (2.15911e-06% change)
- large trace change predicted (5.33882e-06%)
- linmin: converged after 4 iterations.
- iteration 536: trace = 2.451806111903806 (5.33892e-06% change)
- linmin: converged after 2 iterations.
- iteration 537: trace = 2.451806065983852 (1.8729e-06% change)
- large trace change predicted (4.69983e-06%)
- linmin: converged after 2 iterations.
- iteration 538: trace = 2.451805950750366 (4.69994e-06% change)
- linmin: converged after 3 iterations.
- iteration 539: trace = 2.451805840143377 (4.51125e-06% change)
- linmin: converged after 3 iterations.
- iteration 540: trace = 2.451805694770904 (5.9292e-06% change)
- linmin: converged after 3 iterations.
- iteration 541: trace = 2.45180551485643 (7.33804e-06% change)
- linmin: converged after 3 iterations.
- iteration 542: trace = 2.45180519789092 (1.29278e-05% change)
- linmin: converged after 5 iterations.
- iteration 543: trace = 2.451805085639186 (4.57833e-06% change)
- large trace change predicted (1.22654e-05%)
- linmin: converged after 3 iterations.
- iteration 544: trace = 2.451804784802842 (1.227e-05% change)
- linmin: converged after 4 iterations.
- iteration 545: trace = 2.45180449718559 (1.17308e-05% change)
- linmin: converged after 4 iterations.
- iteration 546: trace = 2.451804345794657 (6.17467e-06% change)
- linmin: converged after 4 iterations.
- iteration 547: trace = 2.451804065164666 (1.14459e-05% change)
- linmin: converged after 3 iterations.
- iteration 548: trace = 2.451803697266883 (1.50052e-05% change)
- linmin: converged after 4 iterations.
- iteration 549: trace = 2.451803507750984 (7.72965e-06% change)
- linmin: converged after 4 iterations.
- iteration 550: trace = 2.451803423903701 (3.41982e-06% change)
- large trace change predicted (9.1367e-06%)
- linmin: converged after 4 iterations.
- iteration 551: trace = 2.451803199855364 (9.1381e-06% change)
- linmin: converged after 14 iterations.
- iteration 552: trace = 2.451803155076162 (1.82638e-06% change)
- large trace change predicted (4.78125e-06%)
- linmin: converged after 2 iterations.
- iteration 553: trace = 2.451803037843257 (4.7815e-06% change)
- linmin: converged after 3 iterations.
- iteration 554: trace = 2.451802941600485 (3.92539e-06% change)
- linmin: converged after 3 iterations.
- iteration 555: trace = 2.451802840511119 (4.12306e-06% change)
- linmin: converged after 5 iterations.
- iteration 556: trace = 2.451802762045059 (3.20034e-06% change)
- large trace change predicted (1.34886e-05%)
- linmin: converged after 2 iterations.
- iteration 557: trace = 2.451802431305149 (1.34897e-05% change)
- linmin: converged after 4 iterations.
- iteration 558: trace = 2.451802333627822 (3.9839e-06% change)
- large trace change predicted (2.98762e-05%)
- linmin: converged after 4 iterations.
- iteration 559: trace = 2.451801601086465 (2.98777e-05% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 560: trace = 2.451801153491394 (1.82558e-05% change)
- linmin: converged after 4 iterations.
- iteration 561: trace = 2.45180108374121 (2.84485e-06% change)
- large trace change predicted (1.01516e-05%)
- linmin: converged after 4 iterations.
- iteration 562: trace = 2.451800834854224 (1.01512e-05% change)
- linmin: converged after 3 iterations.
- iteration 563: trace = 2.451800745417124 (3.64781e-06% change)
- linmin: converged after 3 iterations.
- iteration 564: trace = 2.451800646513976 (4.0339e-06% change)
- linmin: converged after 3 iterations.
- iteration 565: trace = 2.451800512467677 (5.46726e-06% change)
- linmin: converged after 2 iterations.
- iteration 566: trace = 2.451800411762568 (4.10739e-06% change)
- linmin: converged after 4 iterations.
- iteration 567: trace = 2.451800347132134 (2.63604e-06% change)
- large trace change predicted (8.23316e-06%)
- linmin: converged after 4 iterations.
- iteration 568: trace = 2.451800145289141 (8.23244e-06% change)
- linmin: converged after 3 iterations.
- iteration 569: trace = 2.451800106853036 (1.56767e-06% change)
- large trace change predicted (5.14584e-06%)
- linmin: converged after 3 iterations.
- iteration 570: trace = 2.451799980693867 (5.14557e-06% change)
- linmin: converged after 4 iterations.
- iteration 571: trace = 2.451799882626001 (3.99983e-06% change)
- linmin: converged after 5 iterations.
- iteration 572: trace = 2.451799828486288 (2.20816e-06% change)
- linmin: converged after 3 iterations.
- iteration 573: trace = 2.451799727720482 (4.10987e-06% change)
- linmin: converged after 7 iterations.
- iteration 574: trace = 2.451799594202265 (5.44572e-06% change)
- linmin: converged after 16 iterations.
- iteration 575: trace = 2.451799496038755 (4.00373e-06% change)
- linmin: converged after 3 iterations.
- iteration 576: trace = 2.451799318106548 (7.25721e-06% change)
- linmin: converged after 4 iterations.
- iteration 577: trace = 2.451799026272029 (1.19029e-05% change)
- linmin: converged after 2 iterations.
- iteration 578: trace = 2.451798953869357 (2.95304e-06% change)
- large trace change predicted (8.88296e-06%)
- linmin: converged after 4 iterations.
- iteration 579: trace = 2.451798736137125 (8.88051e-06% change)
- linmin: converged after 3 iterations.
- iteration 580: trace = 2.451798579490022 (6.38907e-06% change)
- linmin: converged after 3 iterations.
- iteration 581: trace = 2.451798522258595 (2.33426e-06% change)
- linmin: converged after 7 iterations.
- iteration 582: trace = 2.451798446005962 (3.11007e-06% change)
- linmin: converged after 3 iterations.
- iteration 583: trace = 2.451798380702826 (2.66348e-06% change)
- linmin: converged after 10 iterations.
- iteration 584: trace = 2.451798361601048 (7.79093e-07% change)
- large trace change predicted (1.6686e-06%)
- linmin: converged after 12 iterations.
- iteration 585: trace = 2.451798320687891 (1.6687e-06% change)
- linmin: converged after 29 iterations.
- iteration 586: trace = 2.451798269075065 (2.1051e-06% change)
- linmin: converged after 4 iterations.
- iteration 587: trace = 2.451798249597147 (7.94434e-07% change)
- large trace change predicted (2.10791e-06%)
- linmin: converged after 2 iterations.
- iteration 588: trace = 2.451798197910782 (2.1081e-06% change)
- linmin: converged after 3 iterations.
- iteration 589: trace = 2.451798103202622 (3.8628e-06% change)
- linmin: converged after 23 iterations.
- iteration 590: trace = 2.45179806636828 (1.50234e-06% change)
- large trace change predicted (6.38346e-06%)
- linmin: converged after 5 iterations.
- iteration 591: trace = 2.451797909799967 (6.38586e-06% change)
- linmin: converged after 3 iterations.
- iteration 592: trace = 2.451797700825857 (8.5233e-06% change)
- linmin: converged after 3 iterations.
- iteration 593: trace = 2.451797650701557 (2.04439e-06% change)
- large trace change predicted (7.16465e-06%)
- linmin: converged after 3 iterations.
- iteration 594: trace = 2.451797474999589 (7.16625e-06% change)
- linmin: converged after 4 iterations.
- iteration 595: trace = 2.45179736829139 (4.35224e-06% change)
- linmin: converged after 2 iterations.
- iteration 596: trace = 2.451797306593138 (2.51645e-06% change)
- large trace change predicted (6.90777e-06%)
- linmin: converged after 5 iterations.
- iteration 597: trace = 2.451797137200148 (6.90893e-06% change)
- linmin: converged after 3 iterations.
- iteration 598: trace = 2.451797018091173 (4.85803e-06% change)
- linmin: converged after 3 iterations.
- iteration 599: trace = 2.451796981007111 (1.51253e-06% change)
- linmin: converged after 3 iterations.
- iteration 600: trace = 2.451796914839586 (2.69874e-06% change)
- linmin: converged after 2 iterations.
- iteration 601: trace = 2.451796860366236 (2.22177e-06% change)
- linmin: converged after 16 iterations.
- iteration 602: trace = 2.45179683762685 (9.27458e-07% change)
- linmin: converged after 4 iterations.
- iteration 603: trace = 2.451796807430568 (1.2316e-06% change)
- linmin: converged after 5 iterations.
- iteration 604: trace = 2.451796775770115 (1.29132e-06% change)
- linmin: converged after 6 iterations.
- iteration 605: trace = 2.451796761812919 (5.69264e-07% change)
- large trace change predicted (2.80158e-06%)
- linmin: converged after 3 iterations.
- iteration 606: trace = 2.451796693126069 (2.80149e-06% change)
- linmin: converged after 4 iterations.
- iteration 607: trace = 2.451796637646316 (2.26282e-06% change)
- linmin: converged after 3 iterations.
- iteration 608: trace = 2.451796589005789 (1.98387e-06% change)
- linmin: converged after 17 iterations.
- iteration 609: trace = 2.45179650894177 (3.26552e-06% change)
- linmin: converged after 3 iterations.
- iteration 610: trace = 2.451796416142364 (3.78496e-06% change)
- linmin: converged after 5 iterations.
- iteration 611: trace = 2.451796380774903 (1.44251e-06% change)
- large trace change predicted (3.91269e-06%)
- linmin: converged after 6 iterations.
- iteration 612: trace = 2.451796284848199 (3.91251e-06% change)
- linmin: converged after 17 iterations.
- iteration 613: trace = 2.451796197580161 (3.55935e-06% change)
- linmin: converged after 3 iterations.
- iteration 614: trace = 2.451796159506312 (1.5529e-06% change)
- large trace change predicted (4.1946e-06%)
- linmin: converged after 2 iterations.
- iteration 615: trace = 2.451796056662793 (4.19462e-06% change)
- linmin: converged after 3 iterations.
- iteration 616: trace = 2.451796008460974 (1.96598e-06% change)
- linmin: converged after 4 iterations.
- iteration 617: trace = 2.451795934751596 (3.00634e-06% change)
- linmin: converged after 3 iterations.
- iteration 618: trace = 2.451795871899575 (2.56351e-06% change)
- linmin: converged after 3 iterations.
- iteration 619: trace = 2.451795799550017 (2.95088e-06% change)
- linmin: converged after 4 iterations.
- iteration 620: trace = 2.451795778367173 (8.63973e-07% change)
- large trace change predicted (2.31433e-06%)
- linmin: converged after 3 iterations.
- iteration 621: trace = 2.45179572162593 (2.31427e-06% change)
- linmin: converged after 18 iterations.
- iteration 622: trace = 2.451795708207833 (5.47276e-07% change)
- linmin: converged after 2 iterations.
- iteration 623: trace = 2.451795690512415 (7.21733e-07% change)
- linmin: converged after 2 iterations.
- iteration 624: trace = 2.451795663740037 (1.09195e-06% change)
- linmin: converged after 2 iterations.
- iteration 625: trace = 2.451795636314248 (1.1186e-06% change)
- linmin: converged after 3 iterations.
- iteration 626: trace = 2.451795612065196 (9.89032e-07% change)
- linmin: converged after 4 iterations.
- iteration 627: trace = 2.451795578668878 (1.36212e-06% change)
- linmin: converged after 6 iterations.
- iteration 628: trace = 2.451795549344755 (1.19603e-06% change)
- linmin: converged after 3 iterations.
- iteration 629: trace = 2.45179552683532 (9.1808e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 630: trace = 2.45179550633759 (8.36029e-07% change)
- linmin: converged after 3 iterations.
- iteration 631: trace = 2.451795483086964 (9.4831e-07% change)
- linmin: converged after 2 iterations.
- iteration 632: trace = 2.451795454197489 (1.1783e-06% change)
- linmin: converged after 4 iterations.
- iteration 633: trace = 2.451795436678621 (7.14532e-07% change)
- linmin: converged after 2 iterations.
- iteration 634: trace = 2.451795407830215 (1.17662e-06% change)
- linmin: converged after 2 iterations.
- iteration 635: trace = 2.451795381449867 (1.07596e-06% change)
- linmin: converged after 3 iterations.
- iteration 636: trace = 2.45179537268668 (3.57419e-07% change)
- large trace change predicted (9.79051e-07%)
- linmin: converged after 2 iterations.
- iteration 637: trace = 2.45179534868218 (9.79058e-07% change)
- linmin: converged after 3 iterations.
- iteration 638: trace = 2.451795308279801 (1.64787e-06% change)
- linmin: converged after 20 iterations.
- iteration 639: trace = 2.451795293393064 (6.07177e-07% change)
- large trace change predicted (2.127e-06%)
- linmin: converged after 4 iterations.
- iteration 640: trace = 2.451795241240033 (2.12714e-06% change)
- linmin: converged after 4 iterations.
- iteration 641: trace = 2.451795195211573 (1.87734e-06% change)
- linmin: converged after 4 iterations.
- iteration 642: trace = 2.451795176314502 (7.70744e-07% change)
- large trace change predicted (2.72894e-06%)
- linmin: converged after 3 iterations.
- iteration 643: trace = 2.451795109405027 (2.729e-06% change)
- linmin: converged after 2 iterations.
- iteration 644: trace = 2.451795045225142 (2.61767e-06% change)
- linmin: converged after 3 iterations.
- iteration 645: trace = 2.451795018719291 (1.08108e-06% change)
- large trace change predicted (3.91316e-06%)
- linmin: converged after 3 iterations.
- iteration 646: trace = 2.451794922770125 (3.91343e-06% change)
- linmin: converged after 3 iterations.
- iteration 647: trace = 2.451794862899225 (2.44192e-06% change)
- linmin: converged after 5 iterations.
- iteration 648: trace = 2.451794837946719 (1.01772e-06% change)
- large trace change predicted (3.91294e-06%)
- linmin: converged after 19 iterations.
- iteration 649: trace = 2.451794742003182 (3.9132e-06% change)
- linmin: converged after 2 iterations.
- iteration 650: trace = 2.451794686975485 (2.24438e-06% change)
- linmin: converged after 10 iterations.
- iteration 651: trace = 2.451794667568173 (7.91555e-07% change)
- large trace change predicted (2.73197e-06%)
- linmin: converged after 2 iterations.
- iteration 652: trace = 2.451794600583064 (2.73208e-06% change)
- linmin: converged after 2 iterations.
- iteration 653: trace = 2.451794557844939 (1.74314e-06% change)
- linmin: converged after 4 iterations.
- iteration 654: trace = 2.451794543115632 (6.00756e-07% change)
- linmin: converged after 5 iterations.
- iteration 655: trace = 2.451794522327706 (8.47866e-07% change)
- linmin: converged after 5 iterations.
- iteration 656: trace = 2.451794492486638 (1.21711e-06% change)
- linmin: converged after 3 iterations.
- iteration 657: trace = 2.451794485169604 (2.98436e-07% change)
- large trace change predicted (1.75868e-06%)
- linmin: converged after 2 iterations.
- iteration 658: trace = 2.451794442048696 (1.75875e-06% change)
- linmin: converged after 7 iterations.
- iteration 659: trace = 2.451794407418552 (1.41244e-06% change)
- linmin: converged after 2 iterations.
- iteration 660: trace = 2.451794383113304 (9.91325e-07% change)
- large trace change predicted (2.37022e-06%)
- linmin: converged after 3 iterations.
- iteration 661: trace = 2.451794325004935 (2.37003e-06% change)
- linmin: converged after 4 iterations.
- iteration 662: trace = 2.451794254543248 (2.87388e-06% change)
- linmin: converged after 17 iterations.
- iteration 663: trace = 2.451794216688021 (1.54398e-06% change)
- linmin: converged after 25 iterations.
- iteration 664: trace = 2.451794164297232 (2.13683e-06% change)
- linmin: converged after 3 iterations.
- iteration 665: trace = 2.451794063633481 (4.10572e-06% change)
- linmin: converged after 4 iterations.
- iteration 666: trace = 2.451793942038218 (4.95944e-06% change)
- linmin: converged after 5 iterations.
- iteration 667: trace = 2.451793909579729 (1.32387e-06% change)
- large trace change predicted (4.14426e-06%)
- linmin: converged after 3 iterations.
- iteration 668: trace = 2.451793807989577 (4.1435e-06% change)
- linmin: converged after 3 iterations.
- iteration 669: trace = 2.451793769166152 (1.58347e-06% change)
- linmin: converged after 3 iterations.
- iteration 670: trace = 2.451793738676322 (1.24357e-06% change)
- linmin: converged after 3 iterations.
- iteration 671: trace = 2.451793697207118 (1.69138e-06% change)
- linmin: converged after 4 iterations.
- iteration 672: trace = 2.451793685346335 (4.83759e-07% change)
- large trace change predicted (1.00259e-06%)
- linmin: converged after 2 iterations.
- iteration 673: trace = 2.451793660764926 (1.00259e-06% change)
- linmin: converged after 7 iterations.
- iteration 674: trace = 2.45179364255815 (7.4259e-07% change)
- linmin: converged after 19 iterations.
- iteration 675: trace = 2.451793634650099 (3.22541e-07% change)
- large trace change predicted (1.26364e-06%)
- linmin: converged after 23 iterations.
- iteration 676: trace = 2.451793603667983 (1.26365e-06% change)
- linmin: converged after 3 iterations.
- iteration 677: trace = 2.451793553949058 (2.02786e-06% change)
- linmin: converged after 5 iterations.
- iteration 678: trace = 2.451793533992017 (8.13977e-07% change)
- linmin: converged after 11 iterations.
- iteration 679: trace = 2.451793496294306 (1.53756e-06% change)
- large trace change predicted (4.19031e-06%)
- linmin: converged after 4 iterations.
- iteration 680: trace = 2.451793393536344 (4.19113e-06% change)
- linmin: converged after 3 iterations.
- iteration 681: trace = 2.45179336580716 (1.13098e-06% change)
- large trace change predicted (4.21856e-06%)
- linmin: converged after 4 iterations.
- iteration 682: trace = 2.451793262353742 (4.2195e-06% change)
- linmin: converged after 4 iterations.
- iteration 683: trace = 2.451793181731778 (3.28829e-06% change)
- linmin: converged after 4 iterations.
- iteration 684: trace = 2.451793157187403 (1.00108e-06% change)
- large trace change predicted (2.22357e-06%)
- linmin: converged after 3 iterations.
- iteration 685: trace = 2.451793102666251 (2.22373e-06% change)
- linmin: converged after 4 iterations.
- iteration 686: trace = 2.451793049653916 (2.16219e-06% change)
- linmin: converged after 2 iterations.
- iteration 687: trace = 2.451793025429164 (9.88042e-07% change)
- linmin: converged after 3 iterations.
- iteration 688: trace = 2.4517929878891 (1.53113e-06% change)
- linmin: converged after 2 iterations.
- iteration 689: trace = 2.451792940549093 (1.93083e-06% change)
- linmin: converged after 6 iterations.
- iteration 690: trace = 2.451792915883914 (1.00601e-06% change)
- linmin: converged after 19 iterations.
- iteration 691: trace = 2.451792876064795 (1.62408e-06% change)
- linmin: converged after 4 iterations.
- iteration 692: trace = 2.451792838345648 (1.53843e-06% change)
- linmin: converged after 3 iterations.
- iteration 693: trace = 2.451792826915167 (4.66209e-07% change)
- large trace change predicted (1.79506e-06%)
- linmin: converged after 4 iterations.
- iteration 694: trace = 2.45179278290272 (1.79511e-06% change)
- linmin: converged after 3 iterations.
- iteration 695: trace = 2.451792747438423 (1.44646e-06% change)
- linmin: converged after 5 iterations.
- iteration 696: trace = 2.451792716364385 (1.2674e-06% change)
- linmin: converged after 2 iterations.
- iteration 697: trace = 2.451792665784828 (2.06296e-06% change)
- linmin: converged after 2 iterations.
- iteration 698: trace = 2.451792565258818 (4.1001e-06% change)
- linmin: converged after 3 iterations.
- iteration 699: trace = 2.45179236980796 (7.97175e-06% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 700: trace = 2.451792265840784 (4.24046e-06% change)
- linmin: converged after 3 iterations.
- iteration 701: trace = 2.451792191930716 (3.01453e-06% change)
- linmin: converged after 2 iterations.
- iteration 702: trace = 2.451792148664044 (1.7647e-06% change)
- linmin: converged after 13 iterations.
- iteration 703: trace = 2.451792122137848 (1.08191e-06% change)
- large trace change predicted (2.81916e-06%)
- linmin: converged after 3 iterations.
- iteration 704: trace = 2.451792053020108 (2.81907e-06% change)
- linmin: converged after 5 iterations.
- iteration 705: trace = 2.451792027058153 (1.0589e-06% change)
- linmin: converged after 2 iterations.
- iteration 706: trace = 2.45179201006231 (6.93201e-07% change)
- large trace change predicted (1.91178e-06%)
- linmin: converged after 3 iterations.
- iteration 707: trace = 2.451791963190513 (1.91174e-06% change)
- linmin: converged after 4 iterations.
- iteration 708: trace = 2.451791954954061 (3.35936e-07% change)
- large trace change predicted (1.13734e-06%)
- linmin: converged after 3 iterations.
- iteration 709: trace = 2.451791927069571 (1.13731e-06% change)
- linmin: converged after 3 iterations.
- iteration 710: trace = 2.451791905694446 (8.71816e-07% change)
- linmin: converged after 3 iterations.
- iteration 711: trace = 2.45179189536726 (4.2121e-07% change)
- large trace change predicted (9.59289e-07%)
- linmin: converged after 3 iterations.
- iteration 712: trace = 2.45179187184791 (9.59272e-07% change)
- linmin: converged after 25 iterations.
- iteration 713: trace = 2.45179183881496 (1.3473e-06% change)
- linmin: converged after 2 iterations.
- iteration 714: trace = 2.451791828748036 (4.10595e-07% change)
- large trace change predicted (1.72028e-06%)
- linmin: converged after 7 iterations.
- iteration 715: trace = 2.45179178657364 (1.72015e-06% change)
- linmin: converged after 16 iterations.
- iteration 716: trace = 2.451791739505495 (1.91974e-06% change)
- linmin: converged after 5 iterations.
- iteration 717: trace = 2.451791726865672 (5.15534e-07% change)
- large trace change predicted (2.28472e-06%)
- linmin: converged after 3 iterations.
- iteration 718: trace = 2.451791670854469 (2.2845e-06% change)
- linmin: converged after 19 iterations.
- iteration 719: trace = 2.451791623146107 (1.94586e-06% change)
- linmin: converged after 5 iterations.
- iteration 720: trace = 2.451791604248033 (7.70786e-07% change)
- linmin: converged after 20 iterations.
- iteration 721: trace = 2.451791578522004 (1.04927e-06% change)
- linmin: converged after 5 iterations.
- iteration 722: trace = 2.45179154531984 (1.3542e-06% change)
- linmin: converged after 3 iterations.
- iteration 723: trace = 2.45179154001316 (2.16441e-07% change)
- large trace change predicted (1.04398e-06%)
- linmin: converged after 7 iterations.
- iteration 724: trace = 2.451791514417294 (1.04397e-06% change)
- linmin: converged after 2 iterations.
- iteration 725: trace = 2.451791499697777 (6.00358e-07% change)
- linmin: converged after 6 iterations.
- iteration 726: trace = 2.451791490821247 (3.62043e-07% change)
- linmin: converged after 21 iterations.
- iteration 727: trace = 2.451791479182166 (4.74717e-07% change)
- linmin: converged after 20 iterations.
- iteration 728: trace = 2.451791468603028 (4.31486e-07% change)
- linmin: converged after 22 iterations.
- iteration 729: trace = 2.451791463214177 (2.19792e-07% change)
- large trace change predicted (4.4337e-07%)
- linmin: converged after 4 iterations.
- iteration 730: trace = 2.451791452343017 (4.43397e-07% change)
- linmin: converged after 13 iterations.
- iteration 731: trace = 2.451791433208534 (7.80429e-07% change)
- linmin: converged after 3 iterations.
- iteration 732: trace = 2.451791427326031 (2.39927e-07% change)
- large trace change predicted (1.51442e-06%)
- linmin: converged after 3 iterations.
- iteration 733: trace = 2.451791390191013 (1.51461e-06% change)
- linmin: converged after 3 iterations.
- iteration 734: trace = 2.451791339090589 (2.08421e-06% change)
- linmin: converged after 4 iterations.
- iteration 735: trace = 2.451791314687017 (9.95336e-07% change)
- linmin: converged after 6 iterations.
- iteration 736: trace = 2.4517912856032 (1.18623e-06% change)
- linmin: converged after 3 iterations.
- iteration 737: trace = 2.451791227755417 (2.35941e-06% change)
- linmin: converged after 2 iterations.
- iteration 738: trace = 2.451791216222877 (4.70372e-07% change)
- large trace change predicted (1.06006e-06%)
- linmin: converged after 27 iterations.
- iteration 739: trace = 2.451791190230289 (1.06015e-06% change)
- linmin: converged after 5 iterations.
- iteration 740: trace = 2.451791175816381 (5.87893e-07% change)
- linmin: converged after 4 iterations.
- iteration 741: trace = 2.451791171007147 (1.96152e-07% change)
- large trace change predicted (4.24916e-07%)
- linmin: converged after 7 iterations.
- iteration 742: trace = 2.451791160588906 (4.24924e-07% change)
- linmin: converged after 4 iterations.
- iteration 743: trace = 2.451791150675575 (4.0433e-07% change)
- linmin: converged after 4 iterations.
- iteration 744: trace = 2.451791145408891 (2.1481e-07% change)
- linmin: converged after 3 iterations.
- iteration 745: trace = 2.451791137991258 (3.02539e-07% change)
- large trace change predicted (6.95864e-07%)
- linmin: converged after 3 iterations.
- iteration 746: trace = 2.451791120930879 (6.95833e-07% change)
- linmin: converged after 26 iterations.
- iteration 747: trace = 2.451791117822212 (1.26792e-07% change)
- large trace change predicted (7.7344e-07%)
- linmin: converged after 3 iterations.
- iteration 748: trace = 2.451791098859697 (7.73415e-07% change)
- linmin: converged after 4 iterations.
- iteration 749: trace = 2.451791091886388 (2.84417e-07% change)
- linmin: converged after 4 iterations.
- iteration 750: trace = 2.451791081648536 (4.17566e-07% change)
- large trace change predicted (8.54253e-07%)
- linmin: converged after 9 iterations.
- iteration 751: trace = 2.451791060704737 (8.54224e-07% change)
- linmin: converged after 2 iterations.
- iteration 752: trace = 2.451791041158371 (7.97228e-07% change)
- linmin: converged after 3 iterations.
- iteration 753: trace = 2.451791032627479 (3.47945e-07% change)
- large trace change predicted (1.04605e-06%)
- linmin: converged after 2 iterations.
- iteration 754: trace = 2.451791006980357 (1.04606e-06% change)
- linmin: converged after 4 iterations.
- iteration 755: trace = 2.451790980819919 (1.06699e-06% change)
- linmin: converged after 4 iterations.
- iteration 756: trace = 2.451790974218321 (2.69256e-07% change)
- large trace change predicted (1.11218e-06%)
- linmin: converged after 3 iterations.
- iteration 757: trace = 2.451790946951377 (1.11212e-06% change)
- linmin: converged after 3 iterations.
- iteration 758: trace = 2.451790925440033 (8.77373e-07% change)
- linmin: converged after 13 iterations.
- iteration 759: trace = 2.451790920711863 (1.92846e-07% change)
- large trace change predicted (4.36471e-07%)
- linmin: converged after 8 iterations.
- iteration 760: trace = 2.45179091001081 (4.36459e-07% change)
- linmin: converged after 8 iterations.
- iteration 761: trace = 2.451790900670096 (3.80975e-07% change)
- linmin: converged after 4 iterations.
- iteration 762: trace = 2.451790898448133 (9.06261e-08% change)
- large trace change predicted (2.66754e-07%)
- linmin: converged after 2 iterations.
- iteration 763: trace = 2.451790891907878 (2.66754e-07% change)
- linmin: converged after 11 iterations.
- iteration 764: trace = 2.451790884721091 (2.93124e-07% change)
- linmin: converged after 7 iterations.
- iteration 765: trace = 2.451790882029681 (1.09773e-07% change)
- large trace change predicted (4.53892e-07%)
- linmin: converged after 22 iterations.
- iteration 766: trace = 2.451790870901434 (4.53882e-07% change)
- linmin: converged after 3 iterations.
- iteration 767: trace = 2.451790862651265 (3.36496e-07% change)
- linmin: converged after 3 iterations.
- iteration 768: trace = 2.451790859943585 (1.10437e-07% change)
- linmin: converged after 9 iterations.
- iteration 769: trace = 2.451790854622261 (2.17038e-07% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 770: trace = 2.451790850736156 (1.58501e-07% change)
- linmin: converged after 3 iterations.
- iteration 771: trace = 2.451790848780821 (7.97513e-08% change)
- large trace change predicted (2.8187e-07%)
- linmin: converged after 2 iterations.
- iteration 772: trace = 2.451790841869923 (2.81871e-07% change)
- linmin: converged after 24 iterations.
- iteration 773: trace = 2.45179083449406 (3.00836e-07% change)
- linmin: converged after 3 iterations.
- iteration 774: trace = 2.451790830224255 (1.7415e-07% change)
- large trace change predicted (3.49862e-07%)
- linmin: converged after 2 iterations.
- iteration 775: trace = 2.451790821646288 (3.49865e-07% change)
- linmin: converged after 3 iterations.
- iteration 776: trace = 2.451790817590084 (1.65438e-07% change)
- linmin: converged after 5 iterations.
- iteration 777: trace = 2.451790812697268 (1.99561e-07% change)
- linmin: converged after 3 iterations.
- iteration 778: trace = 2.451790804441738 (3.36714e-07% change)
- linmin: converged after 5 iterations.
- iteration 779: trace = 2.451790799474577 (2.02593e-07% change)
- linmin: converged after 2 iterations.
- iteration 780: trace = 2.451790793746871 (2.33613e-07% change)
- large trace change predicted (7.06209e-07%)
- linmin: converged after 10 iterations.
- iteration 781: trace = 2.451790776431223 (7.06245e-07% change)
- linmin: converged after 9 iterations.
- iteration 782: trace = 2.451790763844448 (5.13371e-07% change)
- linmin: converged after 4 iterations.
- iteration 783: trace = 2.451790754432425 (3.83884e-07% change)
- large trace change predicted (8.1418e-07%)
- linmin: converged after 4 iterations.
- iteration 784: trace = 2.451790734469889 (8.14202e-07% change)
- linmin: converged after 6 iterations.
- iteration 785: trace = 2.451790725902935 (3.49416e-07% change)
- large trace change predicted (7.13664e-07%)
- linmin: converged after 22 iterations.
- iteration 786: trace = 2.451790708405207 (7.13671e-07% change)
- linmin: converged after 2 iterations.
- iteration 787: trace = 2.451790688069498 (8.29423e-07% change)
- linmin: converged after 13 iterations.
- iteration 788: trace = 2.451790676621194 (4.66936e-07% change)
- linmin: converged after 19 iterations.
- iteration 789: trace = 2.451790666951052 (3.94411e-07% change)
- linmin: converged after 7 iterations.
- iteration 790: trace = 2.45179065530475 (4.75012e-07% change)
- linmin: converged after 9 iterations.
- iteration 791: trace = 2.451790645464281 (4.01358e-07% change)
- linmin: converged after 3 iterations.
- iteration 792: trace = 2.451790640268372 (2.11923e-07% change)
- large trace change predicted (4.37856e-07%)
- linmin: converged after 3 iterations.
- iteration 793: trace = 2.451790629532549 (4.37877e-07% change)
- linmin: converged after 6 iterations.
- iteration 794: trace = 2.451790625486887 (1.65008e-07% change)
- linmin: converged after 7 iterations.
- iteration 795: trace = 2.451790621763671 (1.51857e-07% change)
- large trace change predicted (3.92591e-07%)
- linmin: converged after 5 iterations.
- iteration 796: trace = 2.451790612137841 (3.92604e-07% change)
- linmin: converged after 3 iterations.
- iteration 797: trace = 2.451790610497388 (6.69084e-08% change)
- large trace change predicted (3.81881e-07%)
- linmin: converged after 4 iterations.
- iteration 798: trace = 2.451790601134438 (3.81882e-07% change)
- linmin: converged after 10 iterations.
- iteration 799: trace = 2.451790592150075 (3.66441e-07% change)
- linmin: converged after 13 iterations.
- iteration 800: trace = 2.451790580991582 (4.55116e-07% change)
- linmin: converged after 4 iterations.
- iteration 801: trace = 2.451790575201232 (2.36168e-07% change)
- large trace change predicted (6.60894e-07%)
- linmin: converged after 2 iterations.
- iteration 802: trace = 2.451790558997469 (6.60895e-07% change)
- linmin: converged after 4 iterations.
- iteration 803: trace = 2.45179053723362 (8.87672e-07% change)
- linmin: converged after 6 iterations.
- iteration 804: trace = 2.451790529390748 (3.19883e-07% change)
- large trace change predicted (1.39634e-06%)
- linmin: converged after 4 iterations.
- iteration 805: trace = 2.451790495160123 (1.39615e-06% change)
- linmin: converged after 8 iterations.
- iteration 806: trace = 2.451790481076751 (5.74412e-07% change)
- linmin: converged after 3 iterations.
- iteration 807: trace = 2.451790459563808 (8.77438e-07% change)
- linmin: converged after 3 iterations.
- iteration 808: trace = 2.451790446342061 (5.39269e-07% change)
- linmin: converged after 4 iterations.
- iteration 809: trace = 2.451790440342123 (2.44717e-07% change)
- linmin: converged after 4 iterations.
- iteration 810: trace = 2.451790435433245 (2.00216e-07% change)
- linmin: converged after 3 iterations.
- iteration 811: trace = 2.451790428497347 (2.82891e-07% change)
- linmin: converged after 8 iterations.
- iteration 812: trace = 2.451790426597656 (7.74818e-08% change)
- large trace change predicted (2.46463e-07%)
- linmin: converged after 4 iterations.
- iteration 813: trace = 2.451790420554907 (2.46463e-07% change)
- linmin: converged after 4 iterations.
- iteration 814: trace = 2.451790415291416 (2.14679e-07% change)
- linmin: converged after 3 iterations.
- iteration 815: trace = 2.451790413150698 (8.73125e-08% change)
- large trace change predicted (4.66979e-07%)
- linmin: converged after 7 iterations.
- iteration 816: trace = 2.451790401701011 (4.66993e-07% change)
- linmin: converged after 3 iterations.
- iteration 817: trace = 2.451790388313961 (5.46011e-07% change)
- linmin: converged after 4 iterations.
- iteration 818: trace = 2.451790382630603 (2.31804e-07% change)
- large trace change predicted (5.34739e-07%)
- linmin: converged after 11 iterations.
- iteration 819: trace = 2.451790369519399 (5.3476e-07% change)
- linmin: converged after 9 iterations.
- iteration 820: trace = 2.451790348938323 (8.3943e-07% change)
- linmin: converged after 6 iterations.
- iteration 821: trace = 2.451790333163449 (6.43402e-07% change)
- linmin: converged after 8 iterations.
- iteration 822: trace = 2.45179032403559 (3.72294e-07% change)
- large trace change predicted (7.81578e-07%)
- linmin: converged after 14 iterations.
- iteration 823: trace = 2.451790304871935 (7.81619e-07% change)
- linmin: converged after 5 iterations.
- iteration 824: trace = 2.451790295531658 (3.80957e-07% change)
- linmin: converged after 2 iterations.
- iteration 825: trace = 2.451790285744269 (3.99194e-07% change)
- linmin: converged after 11 iterations.
- iteration 826: trace = 2.451790272061595 (5.58069e-07% change)
- linmin: converged after 6 iterations.
- iteration 827: trace = 2.451790266942433 (2.08793e-07% change)
- linmin: converged after 5 iterations.
- iteration 828: trace = 2.451790258678502 (3.37057e-07% change)
- linmin: converged after 3 iterations.
- iteration 829: trace = 2.451790247271042 (4.65271e-07% change)
- linmin: converged after 2 iterations.
- iteration 830: trace = 2.451790244311814 (1.20697e-07% change)
- large trace change predicted (3.56888e-07%)
- linmin: converged after 3 iterations.
- iteration 831: trace = 2.45179023556167 (3.56888e-07% change)
- linmin: converged after 25 iterations.
- iteration 832: trace = 2.45179022555658 (4.08073e-07% change)
- linmin: converged after 7 iterations.
- iteration 833: trace = 2.451790222941453 (1.06662e-07% change)
- large trace change predicted (2.88187e-07%)
- linmin: converged after 4 iterations.
- iteration 834: trace = 2.451790215875715 (2.88187e-07% change)
- large trace change predicted (6.82744e-07%)
- linmin: converged after 3 iterations.
- iteration 835: trace = 2.451790199135536 (6.82774e-07% change)
- linmin: converged after 2 iterations.
- iteration 836: trace = 2.451790194475009 (1.90087e-07% change)
- large trace change predicted (8.45349e-07%)
- linmin: converged after 3 iterations.
- iteration 837: trace = 2.451790173748307 (8.4537e-07% change)
- linmin: converged after 10 iterations.
- iteration 838: trace = 2.45179015497831 (7.65563e-07% change)
- linmin: converged after 16 iterations.
- iteration 839: trace = 2.451790141766932 (5.38846e-07% change)
- resetting CG direction...
- linmin: converged after 10 iterations.
- iteration 840: trace = 2.451790130652822 (4.53306e-07% change)
- linmin: converged after 3 iterations.
- iteration 841: trace = 2.451790117578799 (5.33244e-07% change)
- linmin: converged after 3 iterations.
- iteration 842: trace = 2.451790101719007 (6.46866e-07% change)
- linmin: converged after 25 iterations.
- iteration 843: trace = 2.451790097671424 (1.65087e-07% change)
- large trace change predicted (5.1677e-07%)
- linmin: converged after 3 iterations.
- iteration 844: trace = 2.451790085002 (5.16742e-07% change)
- linmin: converged after 5 iterations.
- iteration 845: trace = 2.451790075364461 (3.93082e-07% change)
- linmin: converged after 4 iterations.
- iteration 846: trace = 2.451790072195899 (1.29235e-07% change)
- large trace change predicted (4.12186e-07%)
- linmin: converged after 3 iterations.
- iteration 847: trace = 2.451790062090133 (4.12179e-07% change)
- linmin: converged after 17 iterations.
- iteration 848: trace = 2.451790058926191 (1.29046e-07% change)
- large trace change predicted (2.63649e-07%)
- linmin: converged after 5 iterations.
- iteration 849: trace = 2.451790052462258 (2.63641e-07% change)
- linmin: converged after 3 iterations.
- iteration 850: trace = 2.451790046396517 (2.47401e-07% change)
- linmin: converged after 8 iterations.
- iteration 851: trace = 2.451790043367849 (1.23529e-07% change)
- linmin: converged after 3 iterations.
- iteration 852: trace = 2.451790039269316 (1.67165e-07% change)
- large trace change predicted (3.34821e-07%)
- linmin: converged after 7 iterations.
- iteration 853: trace = 2.45179003106038 (3.34814e-07% change)
- linmin: converged after 24 iterations.
- iteration 854: trace = 2.451790024970796 (2.48373e-07% change)
- linmin: converged after 5 iterations.
- iteration 855: trace = 2.451790017007872 (3.2478e-07% change)
- linmin: converged after 3 iterations.
- iteration 856: trace = 2.451790004551986 (5.08032e-07% change)
- linmin: converged after 4 iterations.
- iteration 857: trace = 2.451790000272914 (1.74528e-07% change)
- large trace change predicted (5.59857e-07%)
- linmin: converged after 17 iterations.
- iteration 858: trace = 2.451789986547154 (5.59826e-07% change)
- linmin: converged after 5 iterations.
- iteration 859: trace = 2.451789975362655 (4.56177e-07% change)
- linmin: converged after 4 iterations.
- iteration 860: trace = 2.451789968005178 (3.00086e-07% change)
- linmin: converged after 4 iterations.
- iteration 861: trace = 2.45178996537633 (1.07222e-07% change)
- large trace change predicted (3.42951e-07%)
- linmin: converged after 22 iterations.
- iteration 862: trace = 2.451789956968089 (3.42943e-07% change)
- linmin: converged after 3 iterations.
- iteration 863: trace = 2.451789951005074 (2.43211e-07% change)
- linmin: converged after 6 iterations.
- iteration 864: trace = 2.451789948906951 (8.55751e-08% change)
- linmin: converged after 4 iterations.
- iteration 865: trace = 2.451789945675188 (1.31812e-07% change)
- linmin: converged after 3 iterations.
- iteration 866: trace = 2.451789943217673 (1.00233e-07% change)
- linmin: converged after 3 iterations.
- iteration 867: trace = 2.451789940823766 (9.76391e-08% change)
- linmin: converged after 5 iterations.
- iteration 868: trace = 2.451789938148882 (1.09099e-07% change)
- linmin: converged after 7 iterations.
- iteration 869: trace = 2.451789935455995 (1.09834e-07% change)
- linmin: converged after 29 iterations.
- iteration 870: trace = 2.451789933603409 (7.55606e-08% change)
- large trace change predicted (2.08614e-07%)
- linmin: converged after 16 iterations.
- iteration 871: trace = 2.45178992848846 (2.08621e-07% change)
- linmin: converged after 7 iterations.
- iteration 872: trace = 2.451789920896306 (3.09658e-07% change)
- linmin: converged after 3 iterations.
- iteration 873: trace = 2.451789917419556 (1.41805e-07% change)
- large trace change predicted (5.71054e-07%)
- linmin: converged after 3 iterations.
- iteration 874: trace = 2.45178990341708 (5.71112e-07% change)
- linmin: converged after 3 iterations.
- iteration 875: trace = 2.451789896518359 (2.81375e-07% change)
- linmin: converged after 6 iterations.
- iteration 876: trace = 2.451789889618854 (2.81407e-07% change)
- linmin: converged after 2 iterations.
- iteration 877: trace = 2.451789877036018 (5.1321e-07% change)
- linmin: converged after 2 iterations.
- iteration 878: trace = 2.451789870349878 (2.72704e-07% change)
- linmin: converged after 4 iterations.
- iteration 879: trace = 2.451789867664974 (1.09508e-07% change)
- linmin: converged after 21 iterations.
- iteration 880: trace = 2.451789864008951 (1.49116e-07% change)
- linmin: converged after 3 iterations.
- iteration 881: trace = 2.451789861036756 (1.21226e-07% change)
- linmin: converged after 4 iterations.
- iteration 882: trace = 2.451789860313866 (2.94842e-08% change)
- large trace change predicted (1.22215e-07%)
- linmin: converged after 4 iterations.
- iteration 883: trace = 2.451789857317415 (1.22215e-07% change)
- linmin: converged after 4 iterations.
- iteration 884: trace = 2.451789855887223 (5.83326e-08% change)
- linmin: converged after 2 iterations.
- iteration 885: trace = 2.451789854389887 (6.10711e-08% change)
- large trace change predicted (1.73986e-07%)
- linmin: converged after 4 iterations.
- iteration 886: trace = 2.45178985012418 (1.73983e-07% change)
- linmin: converged after 19 iterations.
- iteration 887: trace = 2.451789846931467 (1.3022e-07% change)
- linmin: converged after 4 iterations.
- iteration 888: trace = 2.451789844577092 (9.60267e-08% change)
- linmin: converged after 3 iterations.
- iteration 889: trace = 2.451789841005948 (1.45655e-07% change)
- linmin: converged after 3 iterations.
- iteration 890: trace = 2.451789836952724 (1.65317e-07% change)
- linmin: converged after 4 iterations.
- iteration 891: trace = 2.451789834899375 (8.3749e-08% change)
- large trace change predicted (2.33956e-07%)
- linmin: converged after 7 iterations.
- iteration 892: trace = 2.45178982916333 (2.33953e-07% change)
- linmin: converged after 10 iterations.
- iteration 893: trace = 2.451789822425168 (2.74826e-07% change)
- linmin: converged after 14 iterations.
- iteration 894: trace = 2.451789820359948 (8.42332e-08% change)
- large trace change predicted (2.40574e-07%)
- linmin: converged after 11 iterations.
- iteration 895: trace = 2.451789814461608 (2.40573e-07% change)
- linmin: converged after 4 iterations.
- iteration 896: trace = 2.451789809322398 (2.09611e-07% change)
- linmin: converged after 3 iterations.
- iteration 897: trace = 2.451789807034282 (9.33243e-08% change)
- linmin: converged after 27 iterations.
- iteration 898: trace = 2.4517898026986 (1.76837e-07% change)
- linmin: converged after 4 iterations.
- iteration 899: trace = 2.451789799312174 (1.38121e-07% change)
- linmin: converged after 4 iterations.
- iteration 900: trace = 2.451789798438976 (3.56147e-08% change)
- large trace change predicted (1.16608e-07%)
- linmin: converged after 11 iterations.
- iteration 901: trace = 2.451789795580043 (1.16606e-07% change)
- linmin: converged after 4 iterations.
- iteration 902: trace = 2.45178979435659 (4.99004e-08% change)
- linmin: converged after 4 iterations.
- iteration 903: trace = 2.45178979329159 (4.34376e-08% change)
- linmin: converged after 4 iterations.
- iteration 904: trace = 2.451789791283026 (8.19224e-08% change)
- linmin: converged after 3 iterations.
- iteration 905: trace = 2.451789789747027 (6.2648e-08% change)
- linmin: converged after 6 iterations.
- iteration 906: trace = 2.45178978823559 (6.16463e-08% change)
- linmin: converged after 8 iterations.
- iteration 907: trace = 2.451789786422252 (7.39598e-08% change)
- linmin: converged after 3 iterations.
- iteration 908: trace = 2.451789785136507 (5.24411e-08% change)
- linmin: converged after 3 iterations.
- iteration 909: trace = 2.451789784398787 (3.0089e-08% change)
- resetting CG direction...
- linmin: converged after 33 iterations.
- iteration 910: trace = 2.45178978372239 (2.75879e-08% change)
- linmin: converged after 3 iterations.
- iteration 911: trace = 2.451789782726463 (4.06204e-08% change)
- linmin: converged after 3 iterations.
- iteration 912: trace = 2.451789781212491 (6.17497e-08% change)
- linmin: converged after 7 iterations.
- iteration 913: trace = 2.451789779875948 (5.45129e-08% change)
- linmin: converged after 4 iterations.
- iteration 914: trace = 2.451789778625379 (5.10064e-08% change)
- linmin: converged after 2 iterations.
- iteration 915: trace = 2.451789776564825 (8.40429e-08% change)
- linmin: converged after 4 iterations.
- iteration 916: trace = 2.451789775371867 (4.86566e-08% change)
- linmin: converged after 3 iterations.
- iteration 917: trace = 2.451789774054313 (5.37384e-08% change)
- large trace change predicted (1.1113e-07%)
- linmin: converged after 3 iterations.
- iteration 918: trace = 2.451789771329607 (1.11131e-07% change)
- linmin: converged after 27 iterations.
- iteration 919: trace = 2.451789770574177 (3.08114e-08% change)
- large trace change predicted (9.94201e-08%)
- linmin: converged after 8 iterations.
- iteration 920: trace = 2.451789768136583 (9.9421e-08% change)
- linmin: converged after 21 iterations.
- iteration 921: trace = 2.451789765165151 (1.21194e-07% change)
- linmin: converged after 5 iterations.
- iteration 922: trace = 2.451789764039035 (4.59304e-08% change)
- large trace change predicted (1.71542e-07%)
- linmin: converged after 20 iterations.
- iteration 923: trace = 2.451789759833119 (1.71545e-07% change)
- linmin: converged after 4 iterations.
- iteration 924: trace = 2.451789755064095 (1.94512e-07% change)
- linmin: converged after 5 iterations.
- iteration 925: trace = 2.451789753301272 (7.18994e-08% change)
- large trace change predicted (2.41629e-07%)
- linmin: converged after 3 iterations.
- iteration 926: trace = 2.451789747377023 (2.4163e-07% change)
- linmin: converged after 3 iterations.
- iteration 927: trace = 2.451789743136205 (1.72968e-07% change)
- linmin: converged after 4 iterations.
- iteration 928: trace = 2.451789741484413 (6.73709e-08% change)
- large trace change predicted (1.71697e-07%)
- linmin: converged after 4 iterations.
- iteration 929: trace = 2.451789737274729 (1.71698e-07% change)
- linmin: converged after 10 iterations.
- iteration 930: trace = 2.451789734450408 (1.15194e-07% change)
- linmin: converged after 4 iterations.
- iteration 931: trace = 2.451789733233363 (4.9639e-08% change)
- large trace change predicted (1.07501e-07%)
- linmin: converged after 3 iterations.
- iteration 932: trace = 2.451789730597635 (1.07502e-07% change)
- linmin: converged after 7 iterations.
- iteration 933: trace = 2.451789727973979 (1.0701e-07% change)
- linmin: converged after 4 iterations.
- iteration 934: trace = 2.451789727193226 (3.18442e-08% change)
- linmin: converged after 11 iterations.
- iteration 935: trace = 2.451789725794567 (5.70465e-08% change)
- linmin: converged after 3 iterations.
- iteration 936: trace = 2.451789723405372 (9.7447e-08% change)
- linmin: converged after 4 iterations.
- iteration 937: trace = 2.451789722618933 (3.20761e-08% change)
- large trace change predicted (7.73954e-08%)
- linmin: converged after 3 iterations.
- iteration 938: trace = 2.451789720721378 (7.73947e-08% change)
- linmin: converged after 16 iterations.
- iteration 939: trace = 2.451789718299249 (9.87903e-08% change)
- linmin: converged after 4 iterations.
- iteration 940: trace = 2.45178971719452 (4.5058e-08% change)
- large trace change predicted (1.45787e-07%)
- linmin: converged after 4 iterations.
- iteration 941: trace = 2.451789713620216 (1.45783e-07% change)
- linmin: converged after 4 iterations.
- iteration 942: trace = 2.451789708394984 (2.13119e-07% change)
- linmin: converged after 5 iterations.
- iteration 943: trace = 2.451789704353748 (1.64828e-07% change)
- linmin: converged after 3 iterations.
- iteration 944: trace = 2.451789702342172 (8.20452e-08% change)
- large trace change predicted (3.28493e-07%)
- linmin: converged after 20 iterations.
- iteration 945: trace = 2.451789694288807 (3.28469e-07% change)
- linmin: converged after 11 iterations.
- iteration 946: trace = 2.451789687656083 (2.70526e-07% change)
- linmin: converged after 4 iterations.
- iteration 947: trace = 2.451789685223355 (9.92225e-08% change)
- linmin: converged after 3 iterations.
- iteration 948: trace = 2.451789680907474 (1.7603e-07% change)
- linmin: converged after 4 iterations.
- iteration 949: trace = 2.451789678868922 (8.31455e-08% change)
- linmin: converged after 4 iterations.
- iteration 950: trace = 2.451789678173815 (2.8351e-08% change)
- linmin: converged after 10 iterations.
- iteration 951: trace = 2.451789676801328 (5.5979e-08% change)
- linmin: converged after 4 iterations.
- iteration 952: trace = 2.45178967541773 (5.64322e-08% change)
- linmin: converged after 4 iterations.
- iteration 953: trace = 2.45178967492127 (2.02489e-08% change)
- large trace change predicted (5.11301e-08%)
- linmin: converged after 4 iterations.
- iteration 954: trace = 2.45178967366767 (5.113e-08% change)
- large trace change predicted (1.05106e-07%)
- linmin: converged after 19 iterations.
- iteration 955: trace = 2.451789671090639 (1.05108e-07% change)
- linmin: converged after 4 iterations.
- iteration 956: trace = 2.451789670085494 (4.09964e-08% change)
- large trace change predicted (1.68508e-07%)
- linmin: converged after 5 iterations.
- iteration 957: trace = 2.451789665953879 (1.68514e-07% change)
- linmin: converged after 3 iterations.
- iteration 958: trace = 2.451789663133067 (1.15051e-07% change)
- linmin: converged after 23 iterations.
- iteration 959: trace = 2.451789661467946 (6.79145e-08% change)
- large trace change predicted (1.98625e-07%)
- linmin: converged after 11 iterations.
- iteration 960: trace = 2.451789656597763 (1.98638e-07% change)
- linmin: converged after 22 iterations.
- iteration 961: trace = 2.451789652026789 (1.86434e-07% change)
- linmin: converged after 7 iterations.
- iteration 962: trace = 2.451789650084212 (7.9231e-08% change)
- large trace change predicted (1.94608e-07%)
- linmin: converged after 5 iterations.
- iteration 963: trace = 2.451789645312699 (1.94613e-07% change)
- linmin: converged after 2 iterations.
- iteration 964: trace = 2.451789642824902 (1.01469e-07% change)
- linmin: converged after 4 iterations.
- iteration 965: trace = 2.451789640346874 (1.0107e-07% change)
- linmin: converged after 7 iterations.
- iteration 966: trace = 2.451789637012786 (1.35986e-07% change)
- linmin: converged after 4 iterations.
- iteration 967: trace = 2.451789635615617 (5.69857e-08% change)
- linmin: converged after 8 iterations.
- iteration 968: trace = 2.451789633832326 (7.27343e-08% change)
- linmin: converged after 3 iterations.
- iteration 969: trace = 2.451789631345194 (1.01441e-07% change)
- linmin: converged after 7 iterations.
- iteration 970: trace = 2.451789628626759 (1.10876e-07% change)
- linmin: converged after 5 iterations.
- iteration 971: trace = 2.45178962806572 (2.28828e-08% change)
- large trace change predicted (1.01899e-07%)
- linmin: converged after 3 iterations.
- iteration 972: trace = 2.45178962556734 (1.019e-07% change)
- linmin: converged after 3 iterations.
- iteration 973: trace = 2.451789624377636 (4.85239e-08% change)
- linmin: converged after 4 iterations.
- iteration 974: trace = 2.451789622558809 (7.41837e-08% change)
- linmin: converged after 4 iterations.
- iteration 975: trace = 2.4517896190195 (1.44356e-07% change)
- linmin: converged after 6 iterations.
- iteration 976: trace = 2.451789614337821 (1.90949e-07% change)
- linmin: converged after 4 iterations.
- iteration 977: trace = 2.451789612451773 (7.69254e-08% change)
- large trace change predicted (1.92361e-07%)
- linmin: converged after 10 iterations.
- iteration 978: trace = 2.451789607735527 (1.92359e-07% change)
- large trace change predicted (5.90753e-07%)
- linmin: converged after 4 iterations.
- iteration 979: trace = 2.451789593251029 (5.90773e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 980: trace = 2.451789585678058 (3.08875e-07% change)
- linmin: converged after 10 iterations.
- iteration 981: trace = 2.45178958142829 (1.73333e-07% change)
- linmin: converged after 21 iterations.
- iteration 982: trace = 2.451789579193533 (9.1148e-08% change)
- linmin: converged after 7 iterations.
- iteration 983: trace = 2.451789576710129 (1.01289e-07% change)
- linmin: converged after 9 iterations.
- iteration 984: trace = 2.451789571854989 (1.98024e-07% change)
- linmin: converged after 4 iterations.
- iteration 985: trace = 2.451789569994678 (7.58756e-08% change)
- linmin: converged after 4 iterations.
- iteration 986: trace = 2.451789568186286 (7.3758e-08% change)
- linmin: converged after 3 iterations.
- iteration 987: trace = 2.451789565693987 (1.01652e-07% change)
- linmin: converged after 21 iterations.
- iteration 988: trace = 2.451789565351379 (1.39738e-08% change)
- large trace change predicted (5.4164e-08%)
- linmin: converged after 6 iterations.
- iteration 989: trace = 2.451789564023403 (5.41635e-08% change)
- linmin: converged after 3 iterations.
- iteration 990: trace = 2.451789562895927 (4.59859e-08% change)
- linmin: converged after 3 iterations.
- iteration 991: trace = 2.451789562012754 (3.60215e-08% change)
- linmin: converged after 6 iterations.
- iteration 992: trace = 2.45178956119363 (3.34093e-08% change)
- large trace change predicted (1.02683e-07%)
- linmin: converged after 5 iterations.
- iteration 993: trace = 2.451789558676108 (1.02681e-07% change)
- linmin: converged after 4 iterations.
- iteration 994: trace = 2.451789557848725 (3.37461e-08% change)
- large trace change predicted (9.42778e-08%)
- linmin: converged after 9 iterations.
- iteration 995: trace = 2.451789555537272 (9.42762e-08% change)
- linmin: converged after 7 iterations.
- iteration 996: trace = 2.45178955330259 (9.11449e-08% change)
- linmin: converged after 6 iterations.
- iteration 997: trace = 2.451789552371775 (3.79647e-08% change)
- large trace change predicted (9.25579e-08%)
- linmin: converged after 3 iterations.
- iteration 998: trace = 2.45178955010249 (9.25563e-08% change)
- linmin: converged after 18 iterations.
- iteration 999: trace = 2.451789548159242 (7.92583e-08% change)
- linmin: converged after 4 iterations.
- iteration 1000: trace = 2.451789546746675 (5.76137e-08% change)
- linmin: converged after 4 iterations.
- iteration 1001: trace = 2.451789545196658 (6.32198e-08% change)
- linmin: converged after 21 iterations.
- iteration 1002: trace = 2.451789542106697 (1.26029e-07% change)
- linmin: converged after 4 iterations.
- iteration 1003: trace = 2.451789541684409 (1.72237e-08% change)
- large trace change predicted (6.35029e-08%)
- linmin: converged after 6 iterations.
- iteration 1004: trace = 2.451789540127463 (6.35024e-08% change)
- linmin: converged after 4 iterations.
- iteration 1005: trace = 2.451789539327693 (3.26198e-08% change)
- linmin: converged after 5 iterations.
- iteration 1006: trace = 2.451789538984625 (1.39925e-08% change)
- linmin: converged after 23 iterations.
- iteration 1007: trace = 2.451789538315147 (2.73057e-08% change)
- linmin: converged after 4 iterations.
- iteration 1008: trace = 2.451789537595789 (2.93401e-08% change)
- linmin: converged after 5 iterations.
- iteration 1009: trace = 2.451789537373796 (9.05435e-09% change)
- large trace change predicted (2.14582e-08%)
- linmin: converged after 4 iterations.
- iteration 1010: trace = 2.451789536847683 (2.14583e-08% change)
- large trace change predicted (5.3587e-08%)
- linmin: converged after 13 iterations.
- iteration 1011: trace = 2.45178953553382 (5.35879e-08% change)
- linmin: converged after 4 iterations.
- iteration 1012: trace = 2.451789534473829 (4.32334e-08% change)
- linmin: converged after 4 iterations.
- iteration 1013: trace = 2.451789532694611 (7.25681e-08% change)
- linmin: converged after 4 iterations.
- iteration 1014: trace = 2.451789530314902 (9.70601e-08% change)
- linmin: converged after 8 iterations.
- iteration 1015: trace = 2.451789529110084 (4.91403e-08% change)
- large trace change predicted (9.94358e-08%)
- linmin: converged after 23 iterations.
- iteration 1016: trace = 2.451789526672045 (9.94392e-08% change)
- linmin: converged after 5 iterations.
- iteration 1017: trace = 2.45178952391461 (1.12466e-07% change)
- linmin: converged after 21 iterations.
- iteration 1018: trace = 2.451789522857236 (4.31266e-08% change)
- linmin: converged after 4 iterations.
- iteration 1019: trace = 2.451789522061707 (3.24468e-08% change)
- linmin: converged after 8 iterations.
- iteration 1020: trace = 2.451789521192991 (3.54319e-08% change)
- linmin: converged after 3 iterations.
- iteration 1021: trace = 2.451789520608171 (2.38528e-08% change)
- linmin: converged after 4 iterations.
- iteration 1022: trace = 2.45178952020785 (1.63277e-08% change)
- linmin: converged after 9 iterations.
- iteration 1023: trace = 2.451789519633386 (2.34304e-08% change)
- linmin: converged after 6 iterations.
- iteration 1024: trace = 2.451789519118052 (2.10187e-08% change)
- linmin: converged after 4 iterations.
- iteration 1025: trace = 2.451789518781816 (1.37139e-08% change)
- large trace change predicted (3.35776e-08%)
- linmin: converged after 4 iterations.
- iteration 1026: trace = 2.451789517958568 (3.35774e-08% change)
- linmin: converged after 4 iterations.
- iteration 1027: trace = 2.451789517439551 (2.11689e-08% change)
- linmin: converged after 5 iterations.
- iteration 1028: trace = 2.451789516938425 (2.04392e-08% change)
- linmin: converged after 3 iterations.
- iteration 1029: trace = 2.45178951636189 (2.35149e-08% change)
- linmin: converged after 4 iterations.
- iteration 1030: trace = 2.451789515625428 (3.00377e-08% change)
- linmin: converged after 5 iterations.
- iteration 1031: trace = 2.451789514847983 (3.17093e-08% change)
- large trace change predicted (7.18198e-08%)
- linmin: converged after 3 iterations.
- iteration 1032: trace = 2.451789513087109 (7.182e-08% change)
- linmin: converged after 7 iterations.
- iteration 1033: trace = 2.451789512566876 (2.12185e-08% change)
- linmin: converged after 15 iterations.
- iteration 1034: trace = 2.451789511630865 (3.81767e-08% change)
- linmin: converged after 2 iterations.
- iteration 1035: trace = 2.451789510064173 (6.38999e-08% change)
- linmin: converged after 4 iterations.
- iteration 1036: trace = 2.451789509702204 (1.47634e-08% change)
- large trace change predicted (4.24194e-08%)
- linmin: converged after 6 iterations.
- iteration 1037: trace = 2.451789508662174 (4.24192e-08% change)
- linmin: converged after 28 iterations.
- iteration 1038: trace = 2.451789507461098 (4.89877e-08% change)
- linmin: converged after 4 iterations.
- iteration 1039: trace = 2.451789506606025 (3.48755e-08% change)
- linmin: converged after 18 iterations.
- iteration 1040: trace = 2.451789506409705 (8.00722e-09% change)
- large trace change predicted (3.02161e-08%)
- linmin: converged after 4 iterations.
- iteration 1041: trace = 2.451789505668874 (3.02159e-08% change)
- linmin: converged after 13 iterations.
- iteration 1042: trace = 2.451789505435705 (9.51014e-09% change)
- linmin: converged after 2 iterations.
- iteration 1043: trace = 2.451789505158259 (1.13161e-08% change)
- linmin: converged after 3 iterations.
- iteration 1044: trace = 2.451789504774739 (1.56425e-08% change)
- linmin: converged after 20 iterations.
- iteration 1045: trace = 2.451789504329974 (1.81404e-08% change)
- linmin: converged after 4 iterations.
- iteration 1046: trace = 2.451789504003197 (1.33281e-08% change)
- linmin: converged after 2 iterations.
- iteration 1047: trace = 2.451789503590501 (1.68324e-08% change)
- linmin: converged after 4 iterations.
- iteration 1048: trace = 2.451789503330634 (1.05991e-08% change)
- linmin: converged after 28 iterations.
- iteration 1049: trace = 2.451789503128339 (8.2509e-09% change)
- resetting CG direction...
- linmin: converged after 9 iterations.
- iteration 1050: trace = 2.451789502962016 (6.78374e-09% change)
- linmin: converged after 13 iterations.
- iteration 1051: trace = 2.451789502784436 (7.24288e-09% change)
- large trace change predicted (1.47416e-08%)
- linmin: converged after 9 iterations.
- iteration 1052: trace = 2.451789502423002 (1.47417e-08% change)
- linmin: converged after 8 iterations.
- iteration 1053: trace = 2.451789502164915 (1.05265e-08% change)
- linmin: converged after 5 iterations.
- iteration 1054: trace = 2.451789501825544 (1.38418e-08% change)
- linmin: converged after 5 iterations.
- iteration 1055: trace = 2.451789501411684 (1.68799e-08% change)
- linmin: converged after 16 iterations.
- iteration 1056: trace = 2.451789501173288 (9.72333e-09% change)
- linmin: converged after 6 iterations.
- iteration 1057: trace = 2.451789500828162 (1.40765e-08% change)
- linmin: converged after 6 iterations.
- iteration 1058: trace = 2.451789500177974 (2.65189e-08% change)
- linmin: converged after 5 iterations.
- iteration 1059: trace = 2.451789500037444 (5.73174e-09% change)
- large trace change predicted (2.99825e-08%)
- linmin: converged after 10 iterations.
- iteration 1060: trace = 2.451789499302327 (2.99829e-08% change)
- linmin: converged after 3 iterations.
- iteration 1061: trace = 2.451789498557349 (3.03851e-08% change)
- linmin: converged after 3 iterations.
- iteration 1062: trace = 2.451789498039462 (2.11228e-08% change)
- linmin: converged after 4 iterations.
- iteration 1063: trace = 2.45178949738404 (2.67324e-08% change)
- linmin: converged after 4 iterations.
- iteration 1064: trace = 2.45178949622907 (4.71072e-08% change)
- linmin: converged after 22 iterations.
- iteration 1065: trace = 2.451789495305421 (3.76725e-08% change)
- linmin: converged after 21 iterations.
- iteration 1066: trace = 2.451789494721137 (2.38309e-08% change)
- linmin: converged after 4 iterations.
- iteration 1067: trace = 2.45178949360109 (4.56828e-08% change)
- linmin: converged after 8 iterations.
- iteration 1068: trace = 2.451789492856723 (3.03601e-08% change)
- linmin: converged after 10 iterations.
- iteration 1069: trace = 2.45178949229224 (2.30233e-08% change)
- linmin: converged after 4 iterations.
- iteration 1070: trace = 2.451789491797887 (2.01629e-08% change)
- linmin: converged after 5 iterations.
- iteration 1071: trace = 2.451789491365316 (1.76431e-08% change)
- linmin: converged after 24 iterations.
- iteration 1072: trace = 2.451789491118513 (1.00662e-08% change)
- large trace change predicted (2.96234e-08%)
- linmin: converged after 10 iterations.
- iteration 1073: trace = 2.451789490392196 (2.96239e-08% change)
- linmin: converged after 13 iterations.
- iteration 1074: trace = 2.451789490292126 (4.08152e-09% change)
- large trace change predicted (2.13499e-08%)
- linmin: converged after 6 iterations.
- iteration 1075: trace = 2.45178948976867 (2.135e-08% change)
- linmin: converged after 4 iterations.
- iteration 1076: trace = 2.451789489385334 (1.56349e-08% change)
- linmin: converged after 6 iterations.
- iteration 1077: trace = 2.451789489219977 (6.74434e-09% change)
- large trace change predicted (1.81852e-08%)
- linmin: converged after 25 iterations.
- iteration 1078: trace = 2.451789488774115 (1.81852e-08% change)
- linmin: converged after 4 iterations.
- iteration 1079: trace = 2.451789488193018 (2.37009e-08% change)
- linmin: converged after 4 iterations.
- iteration 1080: trace = 2.451789487810412 (1.56052e-08% change)
- linmin: converged after 25 iterations.
- iteration 1081: trace = 2.451789487217555 (2.41806e-08% change)
- large trace change predicted (5.80925e-08%)
- linmin: converged after 5 iterations.
- iteration 1082: trace = 2.451789485793301 (5.80904e-08% change)
- linmin: converged after 3 iterations.
- iteration 1083: trace = 2.451789484321333 (6.00365e-08% change)
- linmin: converged after 3 iterations.
- iteration 1084: trace = 2.451789483715688 (2.47022e-08% change)
- large trace change predicted (5.20395e-08%)
- linmin: converged after 4 iterations.
- iteration 1085: trace = 2.451789482439815 (5.20384e-08% change)
- linmin: converged after 17 iterations.
- iteration 1086: trace = 2.451789480615766 (7.43967e-08% change)
- linmin: converged after 23 iterations.
- iteration 1087: trace = 2.451789480057849 (2.27555e-08% change)
- linmin: converged after 3 iterations.
- iteration 1088: trace = 2.451789479697598 (1.46934e-08% change)
- linmin: converged after 4 iterations.
- iteration 1089: trace = 2.451789479318219 (1.54735e-08% change)
- linmin: converged after 7 iterations.
- iteration 1090: trace = 2.451789479135877 (7.43712e-09% change)
- linmin: converged after 3 iterations.
- iteration 1091: trace = 2.451789478962792 (7.05951e-09% change)
- large trace change predicted (1.42707e-08%)
- linmin: converged after 4 iterations.
- iteration 1092: trace = 2.451789478612902 (1.42708e-08% change)
- linmin: converged after 15 iterations.
- iteration 1093: trace = 2.451789478422191 (7.77848e-09% change)
- linmin: converged after 34 iterations.
- iteration 1094: trace = 2.451789478208868 (8.70069e-09% change)
- large trace change predicted (3.48622e-08%)
- linmin: converged after 5 iterations.
- iteration 1095: trace = 2.451789477354111 (3.48626e-08% change)
- linmin: converged after 7 iterations.
- iteration 1096: trace = 2.451789477140853 (8.69805e-09% change)
- large trace change predicted (4.79724e-08%)
- linmin: converged after 4 iterations.
- iteration 1097: trace = 2.451789475964652 (4.79732e-08% change)
- linmin: converged after 10 iterations.
- iteration 1098: trace = 2.451789475110714 (3.48292e-08% change)
- linmin: converged after 9 iterations.
- iteration 1099: trace = 2.451789474615168 (2.02116e-08% change)
- linmin: converged after 15 iterations.
- iteration 1100: trace = 2.451789474057113 (2.27611e-08% change)
- linmin: converged after 2 iterations.
- iteration 1101: trace = 2.451789472951869 (4.50791e-08% change)
- linmin: converged after 3 iterations.
- iteration 1102: trace = 2.451789472627342 (1.32363e-08% change)
- large trace change predicted (4.17731e-08%)
- linmin: converged after 4 iterations.
- iteration 1103: trace = 2.451789471603143 (4.17735e-08% change)
- linmin: converged after 6 iterations.
- iteration 1104: trace = 2.451789470678366 (3.77185e-08% change)
- linmin: converged after 23 iterations.
- iteration 1105: trace = 2.451789470466405 (8.64518e-09% change)
- large trace change predicted (3.40001e-08%)
- linmin: converged after 4 iterations.
- iteration 1106: trace = 2.451789469632787 (3.40004e-08% change)
- linmin: converged after 4 iterations.
- iteration 1107: trace = 2.451789469155216 (1.94785e-08% change)
- linmin: converged after 18 iterations.
- iteration 1108: trace = 2.451789468979577 (7.16369e-09% change)
- large trace change predicted (1.51594e-08%)
- linmin: converged after 12 iterations.
- iteration 1109: trace = 2.451789468607901 (1.51594e-08% change)
- linmin: converged after 7 iterations.
- iteration 1110: trace = 2.451789468055926 (2.25131e-08% change)
- linmin: converged after 3 iterations.
- iteration 1111: trace = 2.451789467543086 (2.09169e-08% change)
- linmin: converged after 5 iterations.
- iteration 1112: trace = 2.451789467372647 (6.95164e-09% change)
- large trace change predicted (3.2074e-08%)
- linmin: converged after 3 iterations.
- iteration 1113: trace = 2.451789466586261 (3.20739e-08% change)
- linmin: converged after 3 iterations.
- iteration 1114: trace = 2.451789466215636 (1.51165e-08% change)
- linmin: converged after 16 iterations.
- iteration 1115: trace = 2.451789465543267 (2.74236e-08% change)
- large trace change predicted (5.78277e-08%)
- linmin: converged after 4 iterations.
- iteration 1116: trace = 2.451789464125439 (5.78283e-08% change)
- linmin: converged after 6 iterations.
- iteration 1117: trace = 2.451789463598613 (2.14874e-08% change)
- linmin: converged after 2 iterations.
- iteration 1118: trace = 2.451789462772691 (3.36865e-08% change)
- large trace change predicted (2.24586e-07%)
- linmin: converged after 16 iterations.
- iteration 1119: trace = 2.4517894572662 (2.24591e-07% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1120: trace = 2.451789454800628 (1.00562e-07% change)
- linmin: converged after 4 iterations.
- iteration 1121: trace = 2.451789453900319 (3.67205e-08% change)
- linmin: converged after 3 iterations.
- iteration 1122: trace = 2.451789453020805 (3.58724e-08% change)
- linmin: converged after 6 iterations.
- iteration 1123: trace = 2.451789451877852 (4.66171e-08% change)
- linmin: converged after 3 iterations.
- iteration 1124: trace = 2.451789451058146 (3.3433e-08% change)
- linmin: converged after 23 iterations.
- iteration 1125: trace = 2.451789450292417 (3.12314e-08% change)
- linmin: converged after 28 iterations.
- iteration 1126: trace = 2.451789449846724 (1.81783e-08% change)
- linmin: converged after 4 iterations.
- iteration 1127: trace = 2.451789449739992 (4.35323e-09% change)
- large trace change predicted (1.71206e-08%)
- linmin: converged after 20 iterations.
- iteration 1128: trace = 2.451789449320231 (1.71206e-08% change)
- linmin: converged after 5 iterations.
- iteration 1129: trace = 2.451789449162853 (6.41887e-09% change)
- linmin: converged after 5 iterations.
- iteration 1130: trace = 2.451789448977824 (7.54669e-09% change)
- linmin: converged after 19 iterations.
- iteration 1131: trace = 2.451789448732061 (1.00239e-08% change)
- linmin: converged after 5 iterations.
- iteration 1132: trace = 2.451789448580512 (6.18114e-09% change)
- linmin: converged after 9 iterations.
- iteration 1133: trace = 2.451789448434489 (5.95576e-09% change)
- large trace change predicted (1.70511e-08%)
- linmin: converged after 4 iterations.
- iteration 1134: trace = 2.451789448016434 (1.7051e-08% change)
- linmin: converged after 4 iterations.
- iteration 1135: trace = 2.451789447897852 (4.83657e-09% change)
- large trace change predicted (2.00637e-08%)
- linmin: converged after 4 iterations.
- iteration 1136: trace = 2.451789447405936 (2.00635e-08% change)
- linmin: converged after 3 iterations.
- iteration 1137: trace = 2.451789446929933 (1.94145e-08% change)
- linmin: converged after 4 iterations.
- iteration 1138: trace = 2.451789446724038 (8.39776e-09% change)
- linmin: converged after 4 iterations.
- iteration 1139: trace = 2.451789446344243 (1.54905e-08% change)
- linmin: converged after 9 iterations.
- iteration 1140: trace = 2.45178944594209 (1.64024e-08% change)
- linmin: converged after 17 iterations.
- iteration 1141: trace = 2.451789445712825 (9.35093e-09% change)
- linmin: converged after 4 iterations.
- iteration 1142: trace = 2.451789445324603 (1.58342e-08% change)
- linmin: converged after 4 iterations.
- iteration 1143: trace = 2.451789444874431 (1.83609e-08% change)
- linmin: converged after 4 iterations.
- iteration 1144: trace = 2.451789444802293 (2.94227e-09% change)
- large trace change predicted (1.74985e-08%)
- linmin: converged after 5 iterations.
- iteration 1145: trace = 2.451789444373273 (1.74983e-08% change)
- linmin: converged after 14 iterations.
- iteration 1146: trace = 2.451789444197008 (7.18921e-09% change)
- linmin: converged after 5 iterations.
- iteration 1147: trace = 2.451789443999578 (8.05251e-09% change)
- linmin: converged after 17 iterations.
- iteration 1148: trace = 2.451789443967304 (1.31635e-09% change)
- large trace change predicted (3.92356e-09%)
- linmin: converged after 17 iterations.
- iteration 1149: trace = 2.451789443871107 (3.92352e-09% change)
- linmin: converged after 12 iterations.
- iteration 1150: trace = 2.451789443739499 (5.36784e-09% change)
- linmin: converged after 4 iterations.
- iteration 1151: trace = 2.451789443650296 (3.63828e-09% change)
- linmin: converged after 4 iterations.
- iteration 1152: trace = 2.451789443487256 (6.64987e-09% change)
- large trace change predicted (1.54921e-08%)
- linmin: converged after 16 iterations.
- iteration 1153: trace = 2.451789443107419 (1.54922e-08% change)
- linmin: converged after 6 iterations.
- iteration 1154: trace = 2.451789442959 (6.05348e-09% change)
- large trace change predicted (1.78009e-08%)
- linmin: converged after 4 iterations.
- iteration 1155: trace = 2.451789442522556 (1.78011e-08% change)
- linmin: converged after 8 iterations.
- iteration 1156: trace = 2.451789442034507 (1.99058e-08% change)
- linmin: converged after 6 iterations.
- iteration 1157: trace = 2.451789441869777 (6.71875e-09% change)
- large trace change predicted (1.91735e-08%)
- linmin: converged after 9 iterations.
- iteration 1158: trace = 2.451789441399677 (1.91737e-08% change)
- linmin: converged after 14 iterations.
- iteration 1159: trace = 2.451789441022405 (1.53876e-08% change)
- linmin: converged after 4 iterations.
- iteration 1160: trace = 2.45178944093529 (3.55313e-09% change)
- large trace change predicted (7.82666e-09%)
- linmin: converged after 8 iterations.
- iteration 1161: trace = 2.451789440743395 (7.82673e-09% change)
- linmin: converged after 15 iterations.
- iteration 1162: trace = 2.451789440575512 (6.84737e-09% change)
- linmin: converged after 4 iterations.
- iteration 1163: trace = 2.451789440533234 (1.72436e-09% change)
- large trace change predicted (3.9798e-09%)
- linmin: converged after 19 iterations.
- iteration 1164: trace = 2.451789440435655 (3.9799e-09% change)
- linmin: converged after 4 iterations.
- iteration 1165: trace = 2.451789440316674 (4.85282e-09% change)
- linmin: converged after 4 iterations.
- iteration 1166: trace = 2.451789440273216 (1.77252e-09% change)
- large trace change predicted (5.59232e-09%)
- linmin: converged after 17 iterations.
- iteration 1167: trace = 2.451789440136105 (5.59229e-09% change)
- linmin: converged after 10 iterations.
- iteration 1168: trace = 2.451789439956406 (7.3293e-09% change)
- linmin: converged after 8 iterations.
- iteration 1169: trace = 2.45178943988431 (2.94055e-09% change)
- linmin: converged after 5 iterations.
- iteration 1170: trace = 2.451789439783332 (4.11852e-09% change)
- large trace change predicted (9.80716e-09%)
- linmin: converged after 3 iterations.
- iteration 1171: trace = 2.451789439542881 (9.80717e-09% change)
- linmin: converged after 30 iterations.
- iteration 1172: trace = 2.451789439491519 (2.09488e-09% change)
- large trace change predicted (7.7296e-09%)
- linmin: converged after 7 iterations.
- iteration 1173: trace = 2.451789439302004 (7.72966e-09% change)
- linmin: converged after 25 iterations.
- iteration 1174: trace = 2.451789438979144 (1.31683e-08% change)
- linmin: converged after 22 iterations.
- iteration 1175: trace = 2.451789438861095 (4.81482e-09% change)
- large trace change predicted (1.15483e-08%)
- linmin: converged after 13 iterations.
- iteration 1176: trace = 2.451789438577952 (1.15485e-08% change)
- linmin: converged after 3 iterations.
- iteration 1177: trace = 2.451789438316322 (1.0671e-08% change)
- linmin: converged after 6 iterations.
- iteration 1178: trace = 2.451789438158082 (6.45403e-09% change)
- linmin: converged after 9 iterations.
- iteration 1179: trace = 2.451789438091058 (2.7337e-09% change)
- linmin: converged after 4 iterations.
- iteration 1180: trace = 2.451789437960886 (5.30928e-09% change)
- linmin: converged after 18 iterations.
- iteration 1181: trace = 2.451789437810039 (6.15252e-09% change)
- linmin: converged after 2 iterations.
- iteration 1182: trace = 2.451789437784512 (1.04116e-09% change)
- large trace change predicted (3.34086e-09%)
- linmin: converged after 22 iterations.
- iteration 1183: trace = 2.4517894377026 (3.34088e-09% change)
- linmin: converged after 4 iterations.
- iteration 1184: trace = 2.451789437626897 (3.08766e-09% change)
- linmin: converged after 4 iterations.
- iteration 1185: trace = 2.451789437594309 (1.32914e-09% change)
- large trace change predicted (3.49077e-09%)
- linmin: converged after 16 iterations.
- iteration 1186: trace = 2.451789437508722 (3.4908e-09% change)
- linmin: converged after 4 iterations.
- iteration 1187: trace = 2.451789437423225 (3.48712e-09% change)
- linmin: converged after 8 iterations.
- iteration 1188: trace = 2.451789437381752 (1.69154e-09% change)
- linmin: converged after 13 iterations.
- iteration 1189: trace = 2.45178943733497 (1.9081e-09% change)
- resetting CG direction...
- linmin: converged after 6 iterations.
- iteration 1190: trace = 2.451789437298785 (1.47584e-09% change)
- linmin: converged after 4 iterations.
- iteration 1191: trace = 2.4517894372732 (1.04355e-09% change)
- large trace change predicted (2.24058e-09%)
- linmin: converged after 3 iterations.
- iteration 1192: trace = 2.451789437218267 (2.24052e-09% change)
- linmin: converged after 27 iterations.
- iteration 1193: trace = 2.451789437180832 (1.52682e-09% change)
- linmin: converged after 2 iterations.
- iteration 1194: trace = 2.451789437115108 (2.68065e-09% change)
- linmin: converged after 3 iterations.
- iteration 1195: trace = 2.45178943702815 (3.54672e-09% change)
- linmin: converged after 9 iterations.
- iteration 1196: trace = 2.451789436981476 (1.90368e-09% change)
- linmin: converged after 10 iterations.
- iteration 1197: trace = 2.451789436907156 (3.03126e-09% change)
- linmin: converged after 4 iterations.
- iteration 1198: trace = 2.451789436782107 (5.10031e-09% change)
- linmin: converged after 7 iterations.
- iteration 1199: trace = 2.451789436754382 (1.1308e-09% change)
- large trace change predicted (4.92148e-09%)
- linmin: converged after 4 iterations.
- iteration 1200: trace = 2.451789436633713 (4.9217e-09% change)
- linmin: converged after 4 iterations.
- iteration 1201: trace = 2.45178943651096 (5.00663e-09% change)
- linmin: converged after 4 iterations.
- iteration 1202: trace = 2.451789436451737 (2.41553e-09% change)
- large trace change predicted (7.0607e-09%)
- linmin: converged after 17 iterations.
- iteration 1203: trace = 2.451789436278625 (7.06063e-09% change)
- linmin: converged after 2 iterations.
- iteration 1204: trace = 2.451789436022101 (1.04627e-08% change)
- linmin: converged after 3 iterations.
- iteration 1205: trace = 2.45178943583682 (7.55699e-09% change)
- linmin: converged after 19 iterations.
- iteration 1206: trace = 2.451789435709842 (5.17897e-09% change)
- linmin: converged after 8 iterations.
- iteration 1207: trace = 2.451789435513479 (8.00896e-09% change)
- linmin: converged after 4 iterations.
- iteration 1208: trace = 2.451789435382537 (5.34067e-09% change)
- linmin: converged after 4 iterations.
- iteration 1209: trace = 2.451789435301188 (3.31795e-09% change)
- linmin: converged after 7 iterations.
- iteration 1210: trace = 2.451789435203965 (3.96541e-09% change)
- linmin: converged after 4 iterations.
- iteration 1211: trace = 2.451789435127112 (3.13456e-09% change)
- linmin: converged after 4 iterations.
- iteration 1212: trace = 2.451789435049508 (3.1652e-09% change)
- linmin: converged after 32 iterations.
- iteration 1213: trace = 2.451789434904809 (5.90177e-09% change)
- linmin: converged after 15 iterations.
- iteration 1214: trace = 2.451789434881218 (9.62173e-10% change)
- large trace change predicted (3.17579e-09%)
- linmin: converged after 4 iterations.
- iteration 1215: trace = 2.451789434803358 (3.17567e-09% change)
- linmin: converged after 4 iterations.
- iteration 1216: trace = 2.451789434739968 (2.58545e-09% change)
- linmin: converged after 21 iterations.
- iteration 1217: trace = 2.451789434713268 (1.08898e-09% change)
- large trace change predicted (4.89033e-09%)
- linmin: converged after 2 iterations.
- iteration 1218: trace = 2.451789434593366 (4.8904e-09% change)
- linmin: converged after 3 iterations.
- iteration 1219: trace = 2.45178943447074 (5.0015e-09% change)
- linmin: converged after 24 iterations.
- iteration 1220: trace = 2.451789434357741 (4.60882e-09% change)
- linmin: converged after 11 iterations.
- iteration 1221: trace = 2.451789434267978 (3.66113e-09% change)
- large trace change predicted (1.03021e-08%)
- linmin: converged after 4 iterations.
- iteration 1222: trace = 2.451789434015397 (1.03019e-08% change)
- linmin: converged after 4 iterations.
- iteration 1223: trace = 2.451789433696972 (1.29874e-08% change)
- linmin: converged after 17 iterations.
- iteration 1224: trace = 2.451789433552949 (5.87422e-09% change)
- linmin: converged after 18 iterations.
- iteration 1225: trace = 2.451789433334862 (8.89501e-09% change)
- linmin: converged after 16 iterations.
- iteration 1226: trace = 2.451789433006891 (1.33768e-08% change)
- linmin: converged after 19 iterations.
- iteration 1227: trace = 2.451789432888533 (4.8274e-09% change)
- linmin: converged after 5 iterations.
- iteration 1228: trace = 2.451789432857472 (1.26685e-09% change)
- linmin: converged after 5 iterations.
- iteration 1229: trace = 2.451789432798414 (2.40878e-09% change)
- linmin: converged after 9 iterations.
- iteration 1230: trace = 2.451789432764895 (1.36714e-09% change)
- linmin: converged after 11 iterations.
- iteration 1231: trace = 2.451789432735394 (1.20322e-09% change)
- large trace change predicted (3.08777e-09%)
- linmin: converged after 7 iterations.
- iteration 1232: trace = 2.45178943265969 (3.08774e-09% change)
- linmin: converged after 15 iterations.
- iteration 1233: trace = 2.45178943258334 (3.11405e-09% change)
- linmin: converged after 22 iterations.
- iteration 1234: trace = 2.451789432553883 (1.20144e-09% change)
- large trace change predicted (6.79587e-09%)
- linmin: converged after 28 iterations.
- iteration 1235: trace = 2.451789432387259 (6.79602e-09% change)
- linmin: converged after 31 iterations.
- iteration 1236: trace = 2.451789432301247 (3.5081e-09% change)
- linmin: converged after 4 iterations.
- iteration 1237: trace = 2.451789432131185 (6.93625e-09% change)
- linmin: converged after 24 iterations.
- iteration 1238: trace = 2.451789431936088 (7.95732e-09% change)
- linmin: converged after 2 iterations.
- iteration 1239: trace = 2.451789431839116 (3.95516e-09% change)
- linmin: converged after 2 iterations.
- iteration 1240: trace = 2.451789431722921 (4.73921e-09% change)
- linmin: converged after 14 iterations.
- iteration 1241: trace = 2.451789431521154 (8.22938e-09% change)
- linmin: converged after 15 iterations.
- iteration 1242: trace = 2.451789431440544 (3.28777e-09% change)
- linmin: converged after 5 iterations.
- iteration 1243: trace = 2.45178943129167 (6.07208e-09% change)
- linmin: converged after 4 iterations.
- iteration 1244: trace = 2.451789431119233 (7.0331e-09% change)
- linmin: converged after 18 iterations.
- iteration 1245: trace = 2.45178943107434 (1.83101e-09% change)
- large trace change predicted (5.58916e-09%)
- linmin: converged after 6 iterations.
- iteration 1246: trace = 2.451789430937306 (5.58918e-09% change)
- linmin: converged after 22 iterations.
- iteration 1247: trace = 2.451789430836432 (4.1143e-09% change)
- linmin: converged after 5 iterations.
- iteration 1248: trace = 2.451789430763661 (2.96805e-09% change)
- linmin: converged after 7 iterations.
- iteration 1249: trace = 2.451789430731146 (1.32619e-09% change)
- large trace change predicted (3.85144e-09%)
- linmin: converged after 6 iterations.
- iteration 1250: trace = 2.451789430636717 (3.85143e-09% change)
- linmin: converged after 7 iterations.
- iteration 1251: trace = 2.451789430524508 (4.57663e-09% change)
- linmin: converged after 4 iterations.
- iteration 1252: trace = 2.45178943050049 (9.79616e-10% change)
- large trace change predicted (5.12696e-09%)
- linmin: converged after 7 iterations.
- iteration 1253: trace = 2.451789430374786 (5.12703e-09% change)
- linmin: converged after 9 iterations.
- iteration 1254: trace = 2.451789430219521 (6.33271e-09% change)
- linmin: converged after 24 iterations.
- iteration 1255: trace = 2.451789430140737 (3.21331e-09% change)
- large trace change predicted (1.58627e-08%)
- linmin: converged after 2 iterations.
- iteration 1256: trace = 2.45178942975182 (1.58626e-08% change)
- linmin: converged after 16 iterations.
- iteration 1257: trace = 2.451789429588243 (6.67173e-09% change)
- linmin: converged after 3 iterations.
- iteration 1258: trace = 2.451789429446933 (5.76353e-09% change)
- large trace change predicted (2.40766e-08%)
- linmin: converged after 7 iterations.
- iteration 1259: trace = 2.451789428856623 (2.40767e-08% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1260: trace = 2.451789428379108 (1.94762e-08% change)
- linmin: converged after 24 iterations.
- iteration 1261: trace = 2.451789428292885 (3.51674e-09% change)
- linmin: converged after 21 iterations.
- iteration 1262: trace = 2.451789428123229 (6.91969e-09% change)
- linmin: converged after 3 iterations.
- iteration 1263: trace = 2.451789427827525 (1.20607e-08% change)
- linmin: converged after 4 iterations.
- iteration 1264: trace = 2.451789427769957 (2.34799e-09% change)
- large trace change predicted (5.20359e-09%)
- linmin: converged after 20 iterations.
- iteration 1265: trace = 2.451789427642376 (5.20357e-09% change)
- linmin: converged after 3 iterations.
- iteration 1266: trace = 2.451789427556736 (3.49296e-09% change)
- linmin: converged after 4 iterations.
- iteration 1267: trace = 2.451789427538553 (7.41649e-10% change)
- large trace change predicted (3.0906e-09%)
- linmin: converged after 6 iterations.
- iteration 1268: trace = 2.45178942746278 (3.09053e-09% change)
- linmin: converged after 4 iterations.
- iteration 1269: trace = 2.451789427409696 (2.16508e-09% change)
- linmin: converged after 10 iterations.
- iteration 1270: trace = 2.451789427387325 (9.12435e-10% change)
- linmin: converged after 22 iterations.
- iteration 1271: trace = 2.451789427345755 (1.69551e-09% change)
- linmin: converged after 19 iterations.
- iteration 1272: trace = 2.451789427301454 (1.80687e-09% change)
- linmin: converged after 7 iterations.
- iteration 1273: trace = 2.451789427277019 (9.96642e-10% change)
- large trace change predicted (3.61819e-09%)
- linmin: converged after 25 iterations.
- iteration 1274: trace = 2.451789427188312 (3.61804e-09% change)
- linmin: converged after 6 iterations.
- iteration 1275: trace = 2.451789427104732 (3.40895e-09% change)
- linmin: converged after 12 iterations.
- iteration 1276: trace = 2.451789427067474 (1.5196e-09% change)
- large trace change predicted (3.7725e-09%)
- linmin: converged after 30 iterations.
- iteration 1277: trace = 2.451789426974981 (3.77247e-09% change)
- linmin: converged after 19 iterations.
- iteration 1278: trace = 2.451789426886685 (3.60131e-09% change)
- linmin: converged after 18 iterations.
- iteration 1279: trace = 2.451789426855997 (1.25163e-09% change)
- large trace change predicted (3.21873e-09%)
- linmin: converged after 23 iterations.
- iteration 1280: trace = 2.451789426777082 (3.21869e-09% change)
- linmin: converged after 4 iterations.
- iteration 1281: trace = 2.451789426675311 (4.15087e-09% change)
- linmin: converged after 9 iterations.
- iteration 1282: trace = 2.451789426652206 (9.42394e-10% change)
- large trace change predicted (4.15518e-09%)
- linmin: converged after 4 iterations.
- iteration 1283: trace = 2.451789426550331 (4.15513e-09% change)
- linmin: converged after 19 iterations.
- iteration 1284: trace = 2.451789426493461 (2.31953e-09% change)
- linmin: converged after 4 iterations.
- iteration 1285: trace = 2.451789426461265 (1.31315e-09% change)
- linmin: converged after 6 iterations.
- iteration 1286: trace = 2.451789426430333 (1.26162e-09% change)
- linmin: converged after 16 iterations.
- iteration 1287: trace = 2.451789426389659 (1.65894e-09% change)
- linmin: converged after 12 iterations.
- iteration 1288: trace = 2.451789426383331 (2.58126e-10% change)
- large trace change predicted (8.90228e-10%)
- linmin: converged after 7 iterations.
- iteration 1289: trace = 2.451789426361502 (8.90301e-10% change)
- linmin: converged after 16 iterations.
- iteration 1290: trace = 2.451789426338924 (9.20876e-10% change)
- linmin: converged after 2 iterations.
- iteration 1291: trace = 2.45178942633073 (3.342e-10% change)
- large trace change predicted (1.92757e-09%)
- linmin: converged after 4 iterations.
- iteration 1292: trace = 2.451789426283468 (1.92766e-09% change)
- linmin: converged after 19 iterations.
- iteration 1293: trace = 2.451789426194652 (3.6225e-09% change)
- linmin: converged after 5 iterations.
- iteration 1294: trace = 2.451789426103259 (3.72763e-09% change)
- linmin: converged after 16 iterations.
- iteration 1295: trace = 2.451789426067078 (1.47569e-09% change)
- large trace change predicted (5.55816e-09%)
- linmin: converged after 7 iterations.
- iteration 1296: trace = 2.451789425930798 (5.55837e-09% change)
- linmin: converged after 7 iterations.
- iteration 1297: trace = 2.451789425838819 (3.75154e-09% change)
- linmin: converged after 2 iterations.
- iteration 1298: trace = 2.451789425817384 (8.74235e-10% change)
- large trace change predicted (1.7951e-09%)
- linmin: converged after 17 iterations.
- iteration 1299: trace = 2.451789425773376 (1.79495e-09% change)
- linmin: converged after 4 iterations.
- iteration 1300: trace = 2.451789425736601 (1.49991e-09% change)
- linmin: converged after 8 iterations.
- iteration 1301: trace = 2.451789425721344 (6.22285e-10% change)
- large trace change predicted (1.47483e-09%)
- linmin: converged after 3 iterations.
- iteration 1302: trace = 2.451789425685182 (1.47493e-09% change)
- linmin: converged after 9 iterations.
- iteration 1303: trace = 2.451789425662749 (9.14953e-10% change)
- linmin: converged after 5 iterations.
- iteration 1304: trace = 2.451789425643686 (7.77531e-10% change)
- linmin: converged after 4 iterations.
- iteration 1305: trace = 2.45178942563422 (3.86094e-10% change)
- large trace change predicted (1.52913e-09%)
- linmin: converged after 5 iterations.
- iteration 1306: trace = 2.45178942559673 (1.52907e-09% change)
- linmin: converged after 10 iterations.
- iteration 1307: trace = 2.451789425586465 (4.18697e-10% change)
- large trace change predicted (9.5648e-10%)
- linmin: converged after 2 iterations.
- iteration 1308: trace = 2.451789425563012 (9.5654e-10% change)
- linmin: converged after 2 iterations.
- iteration 1309: trace = 2.451789425534362 (1.16855e-09% change)
- linmin: converged after 3 iterations.
- iteration 1310: trace = 2.451789425524134 (4.17139e-10% change)
- large trace change predicted (2.13933e-09%)
- linmin: converged after 3 iterations.
- iteration 1311: trace = 2.451789425471684 (2.13927e-09% change)
- linmin: converged after 3 iterations.
- iteration 1312: trace = 2.451789425431605 (1.63469e-09% change)
- linmin: converged after 15 iterations.
- iteration 1313: trace = 2.451789425410803 (8.48443e-10% change)
- large trace change predicted (2.72865e-09%)
- linmin: converged after 18 iterations.
- iteration 1314: trace = 2.451789425343902 (2.72865e-09% change)
- linmin: converged after 3 iterations.
- iteration 1315: trace = 2.451789425283307 (2.47146e-09% change)
- linmin: converged after 4 iterations.
- iteration 1316: trace = 2.451789425267598 (6.40724e-10% change)
- large trace change predicted (1.84938e-09%)
- linmin: converged after 18 iterations.
- iteration 1317: trace = 2.451789425222254 (1.84943e-09% change)
- linmin: converged after 2 iterations.
- iteration 1318: trace = 2.451789425189775 (1.3247e-09% change)
- linmin: converged after 3 iterations.
- iteration 1319: trace = 2.4517894251737 (6.55613e-10% change)
- linmin: converged after 15 iterations.
- iteration 1320: trace = 2.451789425154975 (7.63729e-10% change)
- linmin: converged after 2 iterations.
- iteration 1321: trace = 2.451789425126667 (1.1546e-09% change)
- linmin: converged after 3 iterations.
- iteration 1322: trace = 2.451789425108425 (7.4404e-10% change)
- linmin: converged after 8 iterations.
- iteration 1323: trace = 2.451789425098407 (4.08572e-10% change)
- linmin: converged after 8 iterations.
- iteration 1324: trace = 2.451789425084184 (5.80119e-10% change)
- linmin: converged after 2 iterations.
- iteration 1325: trace = 2.451789425063255 (8.53605e-10% change)
- linmin: converged after 6 iterations.
- iteration 1326: trace = 2.451789425056839 (2.61713e-10% change)
- linmin: converged after 5 iterations.
- iteration 1327: trace = 2.451789425047832 (3.67365e-10% change)
- linmin: converged after 3 iterations.
- iteration 1328: trace = 2.451789425036651 (4.56046e-10% change)
- linmin: converged after 13 iterations.
- iteration 1329: trace = 2.451789425031384 (2.14819e-10% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 1330: trace = 2.451789425026402 (2.03172e-10% change)
- linmin: converged after 4 iterations.
- iteration 1331: trace = 2.451789425016593 (4.00077e-10% change)
- linmin: converged after 9 iterations.
- iteration 1332: trace = 2.451789425010061 (2.6644e-10% change)
- linmin: converged after 5 iterations.
- iteration 1333: trace = 2.451789425002254 (3.18424e-10% change)
- large trace change predicted (7.97431e-10%)
- linmin: converged after 4 iterations.
- iteration 1334: trace = 2.451789424982703 (7.97401e-10% change)
- linmin: converged after 3 iterations.
- iteration 1335: trace = 2.451789424972215 (4.27771e-10% change)
- linmin: converged after 4 iterations.
- iteration 1336: trace = 2.451789424958625 (5.54308e-10% change)
- linmin: converged after 3 iterations.
- iteration 1337: trace = 2.45178942494128 (7.07434e-10% change)
- linmin: converged after 15 iterations.
- iteration 1338: trace = 2.451789424926077 (6.20058e-10% change)
- linmin: converged after 15 iterations.
- iteration 1339: trace = 2.451789424912029 (5.72964e-10% change)
- linmin: converged after 13 iterations.
- iteration 1340: trace = 2.451789424884935 (1.10508e-09% change)
- linmin: converged after 4 iterations.
- iteration 1341: trace = 2.451789424872765 (4.96383e-10% change)
- linmin: converged after 16 iterations.
- iteration 1342: trace = 2.451789424848576 (9.86589e-10% change)
- linmin: converged after 17 iterations.
- iteration 1343: trace = 2.451789424808531 (1.63327e-09% change)
- linmin: converged after 5 iterations.
- iteration 1344: trace = 2.451789424772227 (1.48071e-09% change)
- linmin: converged after 4 iterations.
- iteration 1345: trace = 2.451789424748269 (9.77171e-10% change)
- large trace change predicted (2.167e-09%)
- linmin: converged after 2 iterations.
- iteration 1346: trace = 2.451789424695141 (2.16691e-09% change)
- linmin: converged after 7 iterations.
- iteration 1347: trace = 2.451789424658118 (1.51003e-09% change)
- linmin: converged after 3 iterations.
- iteration 1348: trace = 2.451789424647823 (4.19892e-10% change)
- large trace change predicted (1.61363e-09%)
- linmin: converged after 17 iterations.
- iteration 1349: trace = 2.451789424608258 (1.61373e-09% change)
- linmin: converged after 2 iterations.
- iteration 1350: trace = 2.451789424591985 (6.63728e-10% change)
- linmin: converged after 3 iterations.
- iteration 1351: trace = 2.451789424579163 (5.22973e-10% change)
- linmin: converged after 4 iterations.
- iteration 1352: trace = 2.451789424562327 (6.86677e-10% change)
- linmin: converged after 21 iterations.
- iteration 1353: trace = 2.451789424536434 (1.05607e-09% change)
- linmin: converged after 4 iterations.
- iteration 1354: trace = 2.45178942453202 (1.80024e-10% change)
- large trace change predicted (7.29568e-10%)
- linmin: converged after 14 iterations.
- iteration 1355: trace = 2.451789424514134 (7.29514e-10% change)
- linmin: converged after 22 iterations.
- iteration 1356: trace = 2.451789424503403 (4.37697e-10% change)
- linmin: converged after 12 iterations.
- iteration 1357: trace = 2.451789424496385 (2.86238e-10% change)
- large trace change predicted (1.01752e-09%)
- linmin: converged after 2 iterations.
- iteration 1358: trace = 2.451789424471436 (1.0176e-09% change)
- linmin: converged after 2 iterations.
- iteration 1359: trace = 2.451789424457727 (5.59108e-10% change)
- linmin: converged after 4 iterations.
- iteration 1360: trace = 2.451789424441401 (6.65901e-10% change)
- large trace change predicted (1.5215e-09%)
- linmin: converged after 20 iterations.
- iteration 1361: trace = 2.4517894244041 (1.52139e-09% change)
- linmin: converged after 16 iterations.
- iteration 1362: trace = 2.451789424350351 (2.19222e-09% change)
- linmin: converged after 22 iterations.
- iteration 1363: trace = 2.451789424295335 (2.24393e-09% change)
- linmin: converged after 6 iterations.
- iteration 1364: trace = 2.451789424267806 (1.12278e-09% change)
- linmin: converged after 3 iterations.
- iteration 1365: trace = 2.451789424216301 (2.10075e-09% change)
- linmin: converged after 24 iterations.
- iteration 1366: trace = 2.451789424151033 (2.66203e-09% change)
- linmin: converged after 5 iterations.
- iteration 1367: trace = 2.451789424137584 (5.48548e-10% change)
- linmin: converged after 10 iterations.
- iteration 1368: trace = 2.451789424118441 (7.80773e-10% change)
- linmin: converged after 14 iterations.
- iteration 1369: trace = 2.451789424105455 (5.29656e-10% change)
- linmin: converged after 3 iterations.
- iteration 1370: trace = 2.451789424096591 (3.61551e-10% change)
- linmin: converged after 15 iterations.
- iteration 1371: trace = 2.451789424092687 (1.59212e-10% change)
- large trace change predicted (5.1949e-10%)
- linmin: converged after 3 iterations.
- iteration 1372: trace = 2.45178942407995 (5.19495e-10% change)
- linmin: converged after 4 iterations.
- iteration 1373: trace = 2.451789424069264 (4.3585e-10% change)
- linmin: converged after 12 iterations.
- iteration 1374: trace = 2.451789424058148 (4.53383e-10% change)
- large trace change predicted (1.53044e-09%)
- linmin: converged after 25 iterations.
- iteration 1375: trace = 2.451789424020625 (1.53043e-09% change)
- linmin: converged after 4 iterations.
- iteration 1376: trace = 2.451789424009109 (4.69685e-10% change)
- large trace change predicted (1.6032e-09%)
- linmin: converged after 4 iterations.
- iteration 1377: trace = 2.451789423969804 (1.60313e-09% change)
- linmin: converged after 4 iterations.
- iteration 1378: trace = 2.451789423931909 (1.54561e-09% change)
- linmin: converged after 4 iterations.
- iteration 1379: trace = 2.451789423911547 (8.30511e-10% change)
- linmin: converged after 4 iterations.
- iteration 1380: trace = 2.451789423887948 (9.62499e-10% change)
- linmin: converged after 7 iterations.
- iteration 1381: trace = 2.451789423845258 (1.74119e-09% change)
- linmin: converged after 3 iterations.
- iteration 1382: trace = 2.451789423825225 (8.17053e-10% change)
- linmin: converged after 4 iterations.
- iteration 1383: trace = 2.451789423797294 (1.13921e-09% change)
- linmin: converged after 4 iterations.
- iteration 1384: trace = 2.451789423762372 (1.42438e-09% change)
- linmin: converged after 4 iterations.
- iteration 1385: trace = 2.451789423751556 (4.41139e-10% change)
- large trace change predicted (9.92415e-10%)
- linmin: converged after 11 iterations.
- iteration 1386: trace = 2.451789423727223 (9.92458e-10% change)
- linmin: converged after 3 iterations.
- iteration 1387: trace = 2.451789423706326 (8.52319e-10% change)
- linmin: converged after 15 iterations.
- iteration 1388: trace = 2.45178942369586 (4.26866e-10% change)
- linmin: converged after 13 iterations.
- iteration 1389: trace = 2.451789423685949 (4.04225e-10% change)
- linmin: converged after 16 iterations.
- iteration 1390: trace = 2.451789423666368 (7.98668e-10% change)
- linmin: converged after 2 iterations.
- iteration 1391: trace = 2.451789423645899 (8.34858e-10% change)
- linmin: converged after 7 iterations.
- iteration 1392: trace = 2.451789423639723 (2.51877e-10% change)
- large trace change predicted (1.12882e-09%)
- linmin: converged after 3 iterations.
- iteration 1393: trace = 2.451789423612047 (1.12883e-09% change)
- linmin: converged after 5 iterations.
- iteration 1394: trace = 2.451789423580614 (1.28203e-09% change)
- linmin: converged after 9 iterations.
- iteration 1395: trace = 2.451789423565915 (5.99518e-10% change)
- large trace change predicted (3.14984e-09%)
- linmin: converged after 2 iterations.
- iteration 1396: trace = 2.451789423488688 (3.14983e-09% change)
- linmin: converged after 9 iterations.
- iteration 1397: trace = 2.451789423445791 (1.74961e-09% change)
- linmin: converged after 16 iterations.
- iteration 1398: trace = 2.451789423428728 (6.9595e-10% change)
- large trace change predicted (4.55222e-09%)
- linmin: converged after 18 iterations.
- iteration 1399: trace = 2.451789423317114 (4.55234e-09% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 1400: trace = 2.45178942322682 (3.68278e-09% change)
- linmin: converged after 18 iterations.
- iteration 1401: trace = 2.451789423212356 (5.89954e-10% change)
- large trace change predicted (1.63868e-09%)
- linmin: converged after 3 iterations.
- iteration 1402: trace = 2.45178942317218 (1.63862e-09% change)
- linmin: converged after 3 iterations.
- iteration 1403: trace = 2.45178942311541 (2.31544e-09% change)
- linmin: converged after 7 iterations.
- iteration 1404: trace = 2.451789423103856 (4.71279e-10% change)
- large trace change predicted (1.0712e-09%)
- linmin: converged after 2 iterations.
- iteration 1405: trace = 2.451789423077589 (1.07132e-09% change)
- linmin: converged after 6 iterations.
- iteration 1406: trace = 2.451789423059963 (7.18899e-10% change)
- linmin: converged after 3 iterations.
- iteration 1407: trace = 2.451789423055987 (1.62164e-10% change)
- large trace change predicted (5.94047e-10%)
- linmin: converged after 3 iterations.
- iteration 1408: trace = 2.451789423041421 (5.9412e-10% change)
- linmin: converged after 21 iterations.
- iteration 1409: trace = 2.451789423035884 (2.25813e-10% change)
- linmin: converged after 4 iterations.
- iteration 1410: trace = 2.451789423026342 (3.89209e-10% change)
- linmin: converged after 9 iterations.
- iteration 1411: trace = 2.451789423016263 (4.11089e-10% change)
- linmin: converged after 4 iterations.
- iteration 1412: trace = 2.451789423004644 (4.73869e-10% change)
- linmin: converged after 3 iterations.
- iteration 1413: trace = 2.451789422999864 (1.94967e-10% change)
- large trace change predicted (6.2102e-10%)
- linmin: converged after 10 iterations.
- iteration 1414: trace = 2.451789422984635 (6.21144e-10% change)
- linmin: converged after 24 iterations.
- iteration 1415: trace = 2.451789422964539 (8.19661e-10% change)
- linmin: converged after 3 iterations.
- iteration 1416: trace = 2.451789422951064 (5.4958e-10% change)
- linmin: converged after 2 iterations.
- iteration 1417: trace = 2.45178942293871 (5.03882e-10% change)
- linmin: converged after 17 iterations.
- iteration 1418: trace = 2.451789422916927 (8.88454e-10% change)
- linmin: converged after 12 iterations.
- iteration 1419: trace = 2.451789422905359 (4.7184e-10% change)
- linmin: converged after 6 iterations.
- iteration 1420: trace = 2.451789422896341 (3.678e-10% change)
- large trace change predicted (8.38613e-10%)
- linmin: converged after 18 iterations.
- iteration 1421: trace = 2.451789422875778 (8.38698e-10% change)
- linmin: converged after 3 iterations.
- iteration 1422: trace = 2.451789422867521 (3.36772e-10% change)
- linmin: converged after 10 iterations.
- iteration 1423: trace = 2.4517894228527 (6.04481e-10% change)
- linmin: converged after 19 iterations.
- iteration 1424: trace = 2.451789422834906 (7.25782e-10% change)
- linmin: converged after 4 iterations.
- iteration 1425: trace = 2.451789422830581 (1.76365e-10% change)
- linmin: converged after 6 iterations.
- iteration 1426: trace = 2.451789422826161 (1.80295e-10% change)
- linmin: converged after 12 iterations.
- iteration 1427: trace = 2.45178942281844 (3.1491e-10% change)
- linmin: converged after 5 iterations.
- iteration 1428: trace = 2.451789422816662 (7.25058e-11% change)
-Finished solving for bands 1 to 10 after 1428 iterations.
-tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287
-elapsed time for k point: 12.640904664993286
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 10...
- linmin: converged after 4 iterations.
- iteration 1: trace = 2.528836134270658 (1.93409% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.510710810567917 (0.719324% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.494945478224396 (0.629901% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.491433619084531 (0.140858% change)
- large trace change predicted (0.375525%)
- linmin: converged after 9 iterations.
- iteration 5: trace = 2.481386223449483 (0.404092% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 2.478821683400874 (0.103405% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 2.475784108910963 (0.122616% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.47342152895137 (0.0954731% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.472471533890234 (0.0384155% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.47106907132682 (0.0567392% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.470689308827395 (0.0153695% change)
- large trace change predicted (0.0415688%)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.469653285759598 (0.0419413% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.469044058138818 (0.0246716% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 2.468577431161618 (0.0189009% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 2.467728655941253 (0.0343891% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 2.467452972912819 (0.0111722% change)
- large trace change predicted (0.0408236%)
- linmin: converged after 4 iterations.
- iteration 17: trace = 2.466432198644252 (0.0413781% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 2.46614376303753 (0.0116951% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 2.465689780835783 (0.0184103% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 2.465064628931712 (0.0253573% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 2.464844088512526 (0.00894704% change)
- large trace change predicted (0.0298107%)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.464107093730162 (0.0299047% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 2.463924821317125 (0.00739737% change)
- large trace change predicted (0.0205069%)
- linmin: converged after 3 iterations.
- iteration 24: trace = 2.463417676466141 (0.0205849% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 2.462917918886174 (0.0202892% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 2.462692793520248 (0.00914101% change)
- large trace change predicted (0.0279874%)
- linmin: converged after 4 iterations.
- iteration 27: trace = 2.462009410704481 (0.0277533% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 2.461750459728039 (0.0105184% change)
- large trace change predicted (0.0224555%)
- linmin: converged after 4 iterations.
- iteration 29: trace = 2.461203449306537 (0.0222229% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 2.460687241316449 (0.020976% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 2.460471967293356 (0.00874892% change)
- large trace change predicted (0.0259488%)
- linmin: converged after 4 iterations.
- iteration 32: trace = 2.459845011813007 (0.0254844% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 2.459427659459783 (0.0169681% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 2.459157455079938 (0.0109871% change)
- large trace change predicted (0.0241658%)
- linmin: converged after 6 iterations.
- iteration 35: trace = 2.458586709943367 (0.0232117% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 2.458222137346353 (0.0148296% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 2.45785999435421 (0.014733% change)
- linmin: converged after 8 iterations.
- iteration 38: trace = 2.457513632981111 (0.014093% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 2.457345367945684 (0.0068472% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 2.457030159100321 (0.012828% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 2.456936972282718 (0.00379273% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 2.456770588243581 (0.00677224% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 2.456644639654053 (0.00512672% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 2.456574678584251 (0.00284787% change)
- large trace change predicted (0.00679001%)
- linmin: converged after 4 iterations.
- iteration 45: trace = 2.456409643090212 (0.00671834% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 2.456322083882434 (0.00356458% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 2.456237757309787 (0.0034331% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 2.456190236781592 (0.00193471% change)
- large trace change predicted (0.00555275%)
- linmin: converged after 4 iterations.
- iteration 49: trace = 2.456054113877792 (0.00554219% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 2.456008216708386 (0.00186875% change)
- large trace change predicted (0.00438811%)
- linmin: converged after 4 iterations.
- iteration 51: trace = 2.455900264779816 (0.00439552% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 2.455832002640181 (0.00277955% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 2.455712148285059 (0.00488052% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 2.45566480562526 (0.00192788% change)
- large trace change predicted (0.00469265%)
- linmin: converged after 3 iterations.
- iteration 55: trace = 2.455549041362796 (0.00471428% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 2.455472533590854 (0.00311576% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 2.455355048982745 (0.00478472% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 2.455240128514053 (0.00468051% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 2.455056447621675 (0.00748146% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 2.454878655275191 (0.00724215% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 2.454746446845817 (0.00538568% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 2.454558467425849 (0.00765809% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 2.454455967076481 (0.00417601% change)
- large trace change predicted (0.00930712%)
- linmin: converged after 4 iterations.
- iteration 64: trace = 2.454225787170495 (0.00937848% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 2.454124726566585 (0.0041179% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 2.45393768415976 (0.00762184% change)
- linmin: converged after 5 iterations.
- iteration 67: trace = 2.453808635086515 (0.005259% change)
- linmin: converged after 6 iterations.
- iteration 68: trace = 2.4536224657201 (0.00758724% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 2.453501999729609 (0.00490984% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 70: trace = 2.453442737777944 (0.00241543% change)
- large trace change predicted (0.0062458%)
- linmin: converged after 4 iterations.
- iteration 71: trace = 2.453289568241044 (0.00624324% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 2.453139306423369 (0.0061251% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 2.453047313953293 (0.00375006% change)
- large trace change predicted (0.00966974%)
- linmin: converged after 4 iterations.
- iteration 74: trace = 2.452810838247347 (0.00964054% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 2.452613248556677 (0.00805597% change)
- linmin: converged after 6 iterations.
- iteration 76: trace = 2.452556218941359 (0.00232529% change)
- large trace change predicted (0.00551883%)
- linmin: converged after 4 iterations.
- iteration 77: trace = 2.452421478379425 (0.00549403% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 2.452337884184689 (0.0034087% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 2.452304255799918 (0.00137129% change)
- large trace change predicted (0.00452288%)
- linmin: converged after 4 iterations.
- iteration 80: trace = 2.452193445071391 (0.00451874% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 2.452083136881207 (0.00449845% change)
- linmin: converged after 7 iterations.
- iteration 82: trace = 2.452049770136486 (0.00136076% change)
- large trace change predicted (0.0042555%)
- linmin: converged after 6 iterations.
- iteration 83: trace = 2.451945081868034 (0.00426951% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 2.451875788529541 (0.0028261% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 2.451838601374629 (0.00151669% change)
- large trace change predicted (0.00517262%)
- linmin: converged after 3 iterations.
- iteration 86: trace = 2.451711203848058 (0.00519613% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 2.451670300587416 (0.00166837% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 2.451615303884502 (0.00224326% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 2.451565394548157 (0.00203579% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 2.451542779719338 (0.000922469% change)
- large trace change predicted (0.00192441%)
- linmin: converged after 3 iterations.
- iteration 91: trace = 2.451495500035742 (0.00192859% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 2.451437382440417 (0.00237073% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 2.451416418763382 (0.000855162% change)
- linmin: converged after 3 iterations.
- iteration 94: trace = 2.451379675107484 (0.00149889% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 2.451330789677618 (0.00199422% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 2.451319966066881 (0.000441541% change)
- large trace change predicted (0.00157751%)
- linmin: converged after 3 iterations.
- iteration 97: trace = 2.451281182459109 (0.00158216% change)
- linmin: converged after 3 iterations.
- iteration 98: trace = 2.451251800497511 (0.00119864% change)
- linmin: converged after 3 iterations.
- iteration 99: trace = 2.451242344896484 (0.000385747% change)
- large trace change predicted (0.00130213%)
- linmin: converged after 3 iterations.
- iteration 100: trace = 2.451210407991036 (0.00130289% change)
- linmin: converged after 3 iterations.
- iteration 101: trace = 2.451185124632041 (0.00103147% change)
- linmin: converged after 5 iterations.
- iteration 102: trace = 2.451169451345729 (0.000639419% change)
- large trace change predicted (0.00233857%)
- linmin: converged after 6 iterations.
- iteration 103: trace = 2.451112170428599 (0.00233691% change)
- linmin: converged after 4 iterations.
- iteration 104: trace = 2.451069633666593 (0.00173542% change)
- linmin: converged after 3 iterations.
- iteration 105: trace = 2.45101419436472 (0.00226187% change)
- linmin: converged after 4 iterations.
- iteration 106: trace = 2.450936180186137 (0.00318299% change)
- linmin: converged after 3 iterations.
- iteration 107: trace = 2.450891384751166 (0.0018277% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 2.450830392263574 (0.00248861% change)
- linmin: converged after 3 iterations.
- iteration 109: trace = 2.450789550353348 (0.00166647% change)
- linmin: converged after 5 iterations.
- iteration 110: trace = 2.450776635805771 (0.000526956% change)
- large trace change predicted (0.00118372%)
- linmin: converged after 4 iterations.
- iteration 111: trace = 2.450747619874162 (0.00118396% change)
- linmin: converged after 3 iterations.
- iteration 112: trace = 2.450708423724478 (0.00159937% change)
- linmin: converged after 3 iterations.
- iteration 113: trace = 2.450695634228722 (0.000521871% change)
- large trace change predicted (0.00227149%)
- linmin: converged after 3 iterations.
- iteration 114: trace = 2.450639896131186 (0.0022744% change)
- linmin: converged after 3 iterations.
- iteration 115: trace = 2.450616660757847 (0.000948139% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 2.450596720659853 (0.00081368% change)
- linmin: converged after 3 iterations.
- iteration 117: trace = 2.450567520338584 (0.00119157% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 2.450559845694543 (0.000313179% change)
- linmin: converged after 4 iterations.
- iteration 119: trace = 2.450544542488024 (0.00062448% change)
- linmin: converged after 3 iterations.
- iteration 120: trace = 2.450517955683939 (0.00108494% change)
- linmin: converged after 3 iterations.
- iteration 121: trace = 2.450507948005563 (0.000408391% change)
- large trace change predicted (0.00138501%)
- linmin: converged after 6 iterations.
- iteration 122: trace = 2.450474036353508 (0.00138387% change)
- linmin: converged after 4 iterations.
- iteration 123: trace = 2.450413225406624 (0.00248163% change)
- linmin: converged after 4 iterations.
- iteration 124: trace = 2.450399681485597 (0.000552721% change)
- large trace change predicted (0.00263766%)
- linmin: converged after 4 iterations.
- iteration 125: trace = 2.450335181533825 (0.00263226% change)
- linmin: converged after 5 iterations.
- iteration 126: trace = 2.450316111935002 (0.000778248% change)
- large trace change predicted (0.00253353%)
- linmin: converged after 4 iterations.
- iteration 127: trace = 2.450254091458041 (0.00253115% change)
- linmin: converged after 3 iterations.
- iteration 128: trace = 2.450208039654496 (0.00187949% change)
- linmin: converged after 4 iterations.
- iteration 129: trace = 2.450189708812981 (0.000748137% change)
- large trace change predicted (0.0021763%)
- linmin: converged after 4 iterations.
- iteration 130: trace = 2.450136474059319 (0.0021727% change)
- linmin: converged after 3 iterations.
- iteration 131: trace = 2.450076349204774 (0.00245397% change)
- linmin: converged after 4 iterations.
- iteration 132: trace = 2.450058513417881 (0.000727971% change)
- linmin: converged after 4 iterations.
- iteration 133: trace = 2.450024248881852 (0.00139853% change)
- linmin: converged after 6 iterations.
- iteration 134: trace = 2.449978331020753 (0.0018742% change)
- linmin: converged after 3 iterations.
- iteration 135: trace = 2.449968683814162 (0.000393768% change)
- large trace change predicted (0.00120393%)
- linmin: converged after 4 iterations.
- iteration 136: trace = 2.44993918183586 (0.00120419% change)
- linmin: converged after 4 iterations.
- iteration 137: trace = 2.44991956824943 (0.000800578% change)
- linmin: converged after 4 iterations.
- iteration 138: trace = 2.449912819881661 (0.000275453% change)
- linmin: converged after 3 iterations.
- iteration 139: trace = 2.449900501589036 (0.000502807% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 140: trace = 2.449894807456253 (0.000232423% change)
- linmin: converged after 3 iterations.
- iteration 141: trace = 2.44989218038971 (0.000107232% change)
- large trace change predicted (0.000347579%)
- linmin: converged after 4 iterations.
- iteration 142: trace = 2.449883664285972 (0.000347612% change)
- linmin: converged after 3 iterations.
- iteration 143: trace = 2.449876668837769 (0.000285542% change)
- linmin: converged after 4 iterations.
- iteration 144: trace = 2.449872015836894 (0.000189928% change)
- large trace change predicted (0.00069959%)
- linmin: converged after 4 iterations.
- iteration 145: trace = 2.449854848356567 (0.000700753% change)
- linmin: converged after 4 iterations.
- iteration 146: trace = 2.449848307803675 (0.000266978% change)
- linmin: converged after 3 iterations.
- iteration 147: trace = 2.449839702844577 (0.000351245% change)
- linmin: converged after 3 iterations.
- iteration 148: trace = 2.449826658581972 (0.000532455% change)
- linmin: converged after 3 iterations.
- iteration 149: trace = 2.449819979284587 (0.000272644% change)
- linmin: converged after 3 iterations.
- iteration 150: trace = 2.449813505447425 (0.000264258% change)
- linmin: converged after 3 iterations.
- iteration 151: trace = 2.449804579850275 (0.000364338% change)
- linmin: converged after 3 iterations.
- iteration 152: trace = 2.449797600286897 (0.000284903% change)
- linmin: converged after 3 iterations.
- iteration 153: trace = 2.44978969985222 (0.000322494% change)
- linmin: converged after 3 iterations.
- iteration 154: trace = 2.449775013132724 (0.000599511% change)
- linmin: converged after 3 iterations.
- iteration 155: trace = 2.449770908070022 (0.000167569% change)
- large trace change predicted (0.000429085%)
- linmin: converged after 3 iterations.
- iteration 156: trace = 2.4497603962631 (0.000429094% change)
- linmin: converged after 3 iterations.
- iteration 157: trace = 2.449754428439246 (0.000243609% change)
- linmin: converged after 9 iterations.
- iteration 158: trace = 2.449751678654519 (0.000112247% change)
- linmin: converged after 3 iterations.
- iteration 159: trace = 2.449747900517055 (0.000154225% change)
- linmin: converged after 3 iterations.
- iteration 160: trace = 2.449743866276483 (0.00016468% change)
- linmin: converged after 2 iterations.
- iteration 161: trace = 2.449742696839385 (4.77371e-05% change)
- large trace change predicted (0.000193751%)
- linmin: converged after 3 iterations.
- iteration 162: trace = 2.449737950163642 (0.000193762% change)
- linmin: converged after 3 iterations.
- iteration 163: trace = 2.449731593356187 (0.00025949% change)
- linmin: converged after 3 iterations.
- iteration 164: trace = 2.449729528942611 (8.4271e-05% change)
- large trace change predicted (0.000360113%)
- linmin: converged after 4 iterations.
- iteration 165: trace = 2.449720701149677 (0.000360359% change)
- linmin: converged after 4 iterations.
- iteration 166: trace = 2.449713846129236 (0.000279829% change)
- linmin: converged after 4 iterations.
- iteration 167: trace = 2.449711540764405 (9.41076e-05% change)
- large trace change predicted (0.000273551%)
- linmin: converged after 3 iterations.
- iteration 168: trace = 2.449704837156106 (0.000273649% change)
- linmin: converged after 3 iterations.
- iteration 169: trace = 2.449697310566911 (0.000307245% change)
- linmin: converged after 3 iterations.
- iteration 170: trace = 2.449695044519953 (9.25032e-05% change)
- large trace change predicted (0.000343592%)
- linmin: converged after 3 iterations.
- iteration 171: trace = 2.449686617793979 (0.000343991% change)
- linmin: converged after 3 iterations.
- iteration 172: trace = 2.449677838280267 (0.000358394% change)
- linmin: converged after 4 iterations.
- iteration 173: trace = 2.449674403276298 (0.000140223% change)
- large trace change predicted (0.000280535%)
- linmin: converged after 5 iterations.
- iteration 174: trace = 2.449667524592512 (0.0002808% change)
- linmin: converged after 4 iterations.
- iteration 175: trace = 2.449659843868781 (0.000313542% change)
- linmin: converged after 3 iterations.
- iteration 176: trace = 2.449657785869432 (8.40117e-05% change)
- large trace change predicted (0.000240541%)
- linmin: converged after 4 iterations.
- iteration 177: trace = 2.449651893919608 (0.000240522% change)
- linmin: converged after 3 iterations.
- iteration 178: trace = 2.449647775934057 (0.000168105% change)
- linmin: converged after 3 iterations.
- iteration 179: trace = 2.449645788577494 (8.11283e-05% change)
- large trace change predicted (0.000190697%)
- linmin: converged after 4 iterations.
- iteration 180: trace = 2.449641119065572 (0.00019062% change)
- linmin: converged after 5 iterations.
- iteration 181: trace = 2.449636565772971 (0.000185876% change)
- linmin: converged after 4 iterations.
- iteration 182: trace = 2.44963438518716 (8.90167e-05% change)
- large trace change predicted (0.000269165%)
- linmin: converged after 4 iterations.
- iteration 183: trace = 2.449627808941738 (0.000268459% change)
- linmin: converged after 5 iterations.
- iteration 184: trace = 2.449623518946007 (0.000175129% change)
- linmin: converged after 6 iterations.
- iteration 185: trace = 2.449619990401048 (0.000144044% change)
- large trace change predicted (0.000335612%)
- linmin: converged after 4 iterations.
- iteration 186: trace = 2.449611786240418 (0.000334916% change)
- linmin: converged after 4 iterations.
- iteration 187: trace = 2.449608182807687 (0.000147102% change)
- linmin: converged after 3 iterations.
- iteration 188: trace = 2.449605423969706 (0.000112624% change)
- large trace change predicted (0.000303692%)
- linmin: converged after 8 iterations.
- iteration 189: trace = 2.449597989999981 (0.000303477% change)
- linmin: converged after 4 iterations.
- iteration 190: trace = 2.449593731575493 (0.000173842% change)
- linmin: converged after 4 iterations.
- iteration 191: trace = 2.449588319829075 (0.000220924% change)
- large trace change predicted (0.000564295%)
- linmin: converged after 3 iterations.
- iteration 192: trace = 2.449574492403736 (0.000564481% change)
- linmin: converged after 7 iterations.
- iteration 193: trace = 2.44957168133793 (0.000114757% change)
- large trace change predicted (0.000469169%)
- linmin: converged after 3 iterations.
- iteration 194: trace = 2.44956017309008 (0.000469808% change)
- linmin: converged after 3 iterations.
- iteration 195: trace = 2.449553382156658 (0.000277231% change)
- linmin: converged after 3 iterations.
- iteration 196: trace = 2.449550713519895 (0.000108944% change)
- linmin: converged after 5 iterations.
- iteration 197: trace = 2.449545924429994 (0.000195509% change)
- linmin: converged after 3 iterations.
- iteration 198: trace = 2.449540218602736 (0.000232934% change)
- linmin: converged after 3 iterations.
- iteration 199: trace = 2.449538417206486 (7.35402e-05% change)
- large trace change predicted (0.000254779%)
- linmin: converged after 3 iterations.
- iteration 200: trace = 2.449532169436838 (0.000255059% change)
- linmin: converged after 5 iterations.
- iteration 201: trace = 2.449528067861914 (0.000167443% change)
- linmin: converged after 3 iterations.
- iteration 202: trace = 2.449524503640031 (0.000145507% change)
- large trace change predicted (0.000362752%)
- linmin: converged after 3 iterations.
- iteration 203: trace = 2.449515610964782 (0.000363037% change)
- linmin: converged after 3 iterations.
- iteration 204: trace = 2.449507041026361 (0.000349863% change)
- linmin: converged after 3 iterations.
- iteration 205: trace = 2.449500347649236 (0.000273254% change)
- linmin: converged after 3 iterations.
- iteration 206: trace = 2.44949265562893 (0.000314025% change)
- linmin: converged after 3 iterations.
- iteration 207: trace = 2.449486583240246 (0.000247904% change)
- linmin: converged after 6 iterations.
- iteration 208: trace = 2.449478073971598 (0.00034739% change)
- linmin: converged after 3 iterations.
- iteration 209: trace = 2.449461103627731 (0.000692817% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 210: trace = 2.449458112690228 (0.000122106% change)
- linmin: converged after 3 iterations.
- iteration 211: trace = 2.449453772688644 (0.000177182% change)
- linmin: converged after 4 iterations.
- iteration 212: trace = 2.449448028949936 (0.000234491% change)
- linmin: converged after 3 iterations.
- iteration 213: trace = 2.449446164243894 (7.61276e-05% change)
- large trace change predicted (0.000169819%)
- linmin: converged after 3 iterations.
- iteration 214: trace = 2.449442005059232 (0.000169801% change)
- linmin: converged after 4 iterations.
- iteration 215: trace = 2.44943687769927 (0.000209328% change)
- linmin: converged after 3 iterations.
- iteration 216: trace = 2.449435878329478 (4.08e-05% change)
- large trace change predicted (0.000117212%)
- linmin: converged after 3 iterations.
- iteration 217: trace = 2.449433007876016 (0.000117188% change)
- linmin: converged after 3 iterations.
- iteration 218: trace = 2.449431278028424 (7.06224e-05% change)
- linmin: converged after 3 iterations.
- iteration 219: trace = 2.449430729737943 (2.23844e-05% change)
- large trace change predicted (7.94434e-05%)
- linmin: converged after 3 iterations.
- iteration 220: trace = 2.449428784156017 (7.943e-05% change)
- linmin: converged after 3 iterations.
- iteration 221: trace = 2.449427093991445 (6.90024e-05% change)
- linmin: converged after 5 iterations.
- iteration 222: trace = 2.44942620850447 (3.61508e-05% change)
- linmin: converged after 3 iterations.
- iteration 223: trace = 2.449424545631271 (6.78883e-05% change)
- linmin: converged after 4 iterations.
- iteration 224: trace = 2.449422508885449 (8.3152e-05% change)
- linmin: converged after 4 iterations.
- iteration 225: trace = 2.449421379553375 (4.61061e-05% change)
- large trace change predicted (0.000127276%)
- linmin: converged after 3 iterations.
- iteration 226: trace = 2.449418262715337 (0.000127248% change)
- linmin: converged after 3 iterations.
- iteration 227: trace = 2.449416362177955 (7.75914e-05% change)
- linmin: converged after 3 iterations.
- iteration 228: trace = 2.449415227517519 (4.63237e-05% change)
- large trace change predicted (0.000127924%)
- linmin: converged after 3 iterations.
- iteration 229: trace = 2.449412093136151 (0.000127965% change)
- linmin: converged after 3 iterations.
- iteration 230: trace = 2.449410383381101 (6.98027e-05% change)
- linmin: converged after 5 iterations.
- iteration 231: trace = 2.449408557909533 (7.4527e-05% change)
- linmin: converged after 3 iterations.
- iteration 232: trace = 2.449406557521023 (8.16683e-05% change)
- linmin: converged after 3 iterations.
- iteration 233: trace = 2.449405121466212 (5.86287e-05% change)
- linmin: converged after 4 iterations.
- iteration 234: trace = 2.449404283427615 (3.4214e-05% change)
- large trace change predicted (8.22352e-05%)
- linmin: converged after 3 iterations.
- iteration 235: trace = 2.449402267249879 (8.2313e-05% change)
- linmin: converged after 3 iterations.
- iteration 236: trace = 2.449400604098859 (6.79003e-05% change)
- linmin: converged after 4 iterations.
- iteration 237: trace = 2.449399711006797 (3.64617e-05% change)
- linmin: converged after 3 iterations.
- iteration 238: trace = 2.449398559350344 (4.70179e-05% change)
- linmin: converged after 3 iterations.
- iteration 239: trace = 2.449397676324221 (3.60507e-05% change)
- linmin: converged after 2 iterations.
- iteration 240: trace = 2.449397140248872 (2.1886e-05% change)
- linmin: converged after 4 iterations.
- iteration 241: trace = 2.449396141907888 (4.07586e-05% change)
- linmin: converged after 4 iterations.
- iteration 242: trace = 2.449395682477338 (1.87569e-05% change)
- linmin: converged after 2 iterations.
- iteration 243: trace = 2.449394822468462 (3.51111e-05% change)
- linmin: converged after 5 iterations.
- iteration 244: trace = 2.449393696944044 (4.59511e-05% change)
- linmin: converged after 4 iterations.
- iteration 245: trace = 2.44939297320229 (2.95478e-05% change)
- linmin: converged after 3 iterations.
- iteration 246: trace = 2.449391733958175 (5.05939e-05% change)
- linmin: converged after 3 iterations.
- iteration 247: trace = 2.449389699471952 (8.30609e-05% change)
- linmin: converged after 3 iterations.
- iteration 248: trace = 2.449389283936811 (1.69648e-05% change)
- large trace change predicted (5.17013e-05%)
- linmin: converged after 5 iterations.
- iteration 249: trace = 2.449388017709373 (5.16957e-05% change)
- linmin: converged after 3 iterations.
- iteration 250: trace = 2.449386829212846 (4.85222e-05% change)
- linmin: converged after 5 iterations.
- iteration 251: trace = 2.449386452552643 (1.53777e-05% change)
- large trace change predicted (8.24551e-05%)
- linmin: converged after 3 iterations.
- iteration 252: trace = 2.449384434064409 (8.24079e-05% change)
- linmin: converged after 5 iterations.
- iteration 253: trace = 2.449383219451633 (4.95885e-05% change)
- linmin: converged after 5 iterations.
- iteration 254: trace = 2.449382685119716 (2.1815e-05% change)
- linmin: converged after 3 iterations.
- iteration 255: trace = 2.449381793483696 (3.64025e-05% change)
- linmin: converged after 4 iterations.
- iteration 256: trace = 2.44938076716259 (4.19012e-05% change)
- linmin: converged after 4 iterations.
- iteration 257: trace = 2.449380244097084 (2.1355e-05% change)
- large trace change predicted (4.27653e-05%)
- linmin: converged after 18 iterations.
- iteration 258: trace = 2.449379196604692 (4.27656e-05% change)
- linmin: converged after 5 iterations.
- iteration 259: trace = 2.449378424706657 (3.1514e-05% change)
- linmin: converged after 4 iterations.
- iteration 260: trace = 2.44937786277698 (2.29417e-05% change)
- linmin: converged after 8 iterations.
- iteration 261: trace = 2.449377057286336 (3.28855e-05% change)
- linmin: converged after 3 iterations.
- iteration 262: trace = 2.449376176118371 (3.59752e-05% change)
- linmin: converged after 3 iterations.
- iteration 263: trace = 2.449375556948499 (2.52787e-05% change)
- large trace change predicted (6.35408e-05%)
- linmin: converged after 3 iterations.
- iteration 264: trace = 2.449374001064563 (6.35217e-05% change)
- linmin: converged after 4 iterations.
- iteration 265: trace = 2.44937332091431 (2.77683e-05% change)
- linmin: converged after 3 iterations.
- iteration 266: trace = 2.449371976692729 (5.48802e-05% change)
- linmin: converged after 3 iterations.
- iteration 267: trace = 2.449369845323015 (8.7017e-05% change)
- linmin: converged after 5 iterations.
- iteration 268: trace = 2.449369361660958 (1.97464e-05% change)
- large trace change predicted (5.89099e-05%)
- linmin: converged after 5 iterations.
- iteration 269: trace = 2.449367919423626 (5.8882e-05% change)
- linmin: converged after 4 iterations.
- iteration 270: trace = 2.449366777428375 (4.66241e-05% change)
- linmin: converged after 5 iterations.
- iteration 271: trace = 2.44936642983688 (1.41911e-05% change)
- linmin: converged after 3 iterations.
- iteration 272: trace = 2.449365765809774 (2.71102e-05% change)
- linmin: converged after 3 iterations.
- iteration 273: trace = 2.449364508576624 (5.13289e-05% change)
- linmin: converged after 3 iterations.
- iteration 274: trace = 2.449364200448629 (1.25799e-05% change)
- large trace change predicted (5.33552e-05%)
- linmin: converged after 5 iterations.
- iteration 275: trace = 2.449362893431199 (5.33615e-05% change)
- linmin: converged after 4 iterations.
- iteration 276: trace = 2.44936201234216 (3.59722e-05% change)
- linmin: converged after 4 iterations.
- iteration 277: trace = 2.449361775835222 (9.65586e-06% change)
- large trace change predicted (3.25564e-05%)
- linmin: converged after 4 iterations.
- iteration 278: trace = 2.449360978372377 (3.2558e-05% change)
- linmin: converged after 3 iterations.
- iteration 279: trace = 2.449360489669767 (1.99523e-05% change)
- resetting CG direction...
- linmin: converged after 6 iterations.
- iteration 280: trace = 2.44936035885647 (5.34071e-06% change)
- large trace change predicted (1.13115e-05%)
- linmin: converged after 4 iterations.
- iteration 281: trace = 2.449360081788123 (1.13119e-05% change)
- linmin: converged after 3 iterations.
- iteration 282: trace = 2.449359715255381 (1.49644e-05% change)
- linmin: converged after 3 iterations.
- iteration 283: trace = 2.44935946612994 (1.0171e-05% change)
- large trace change predicted (2.89618e-05%)
- linmin: converged after 3 iterations.
- iteration 284: trace = 2.44935875664032 (2.89663e-05% change)
- linmin: converged after 3 iterations.
- iteration 285: trace = 2.44935780750131 (3.87505e-05% change)
- linmin: converged after 3 iterations.
- iteration 286: trace = 2.449357444958249 (1.48016e-05% change)
- large trace change predicted (3.94878e-05%)
- linmin: converged after 3 iterations.
- iteration 287: trace = 2.449356477601795 (3.94943e-05% change)
- linmin: converged after 5 iterations.
- iteration 288: trace = 2.449356173267169 (1.24251e-05% change)
- linmin: converged after 3 iterations.
- iteration 289: trace = 2.449355809229161 (1.48626e-05% change)
- large trace change predicted (3.10951e-05%)
- linmin: converged after 4 iterations.
- iteration 290: trace = 2.449355047525901 (3.10981e-05% change)
- linmin: converged after 3 iterations.
- iteration 291: trace = 2.449354291692601 (3.08585e-05% change)
- linmin: converged after 3 iterations.
- iteration 292: trace = 2.449353777418593 (2.09963e-05% change)
- large trace change predicted (4.27282e-05%)
- linmin: converged after 4 iterations.
- iteration 293: trace = 2.449352730675097 (4.27355e-05% change)
- linmin: converged after 3 iterations.
- iteration 294: trace = 2.44935189967874 (3.39272e-05% change)
- linmin: converged after 3 iterations.
- iteration 295: trace = 2.449351602363635 (1.21385e-05% change)
- large trace change predicted (3.70076e-05%)
- linmin: converged after 4 iterations.
- iteration 296: trace = 2.449350695758482 (3.70141e-05% change)
- linmin: converged after 2 iterations.
- iteration 297: trace = 2.449350445131554 (1.02324e-05% change)
- linmin: converged after 4 iterations.
- iteration 298: trace = 2.449349958064664 (1.98856e-05% change)
- linmin: converged after 4 iterations.
- iteration 299: trace = 2.449349570822366 (1.581e-05% change)
- linmin: converged after 3 iterations.
- iteration 300: trace = 2.449349258376479 (1.27563e-05% change)
- linmin: converged after 3 iterations.
- iteration 301: trace = 2.449348903416984 (1.4492e-05% change)
- linmin: converged after 3 iterations.
- iteration 302: trace = 2.44934828034559 (2.54382e-05% change)
- linmin: converged after 3 iterations.
- iteration 303: trace = 2.449348047013652 (9.52629e-06% change)
- large trace change predicted (2.67784e-05%)
- linmin: converged after 7 iterations.
- iteration 304: trace = 2.449347391096997 (2.67792e-05% change)
- linmin: converged after 5 iterations.
- iteration 305: trace = 2.449346772318718 (2.5263e-05% change)
- linmin: converged after 3 iterations.
- iteration 306: trace = 2.449346251653882 (2.12573e-05% change)
- linmin: converged after 4 iterations.
- iteration 307: trace = 2.449345928796927 (1.31814e-05% change)
- large trace change predicted (3.13854e-05%)
- linmin: converged after 4 iterations.
- iteration 308: trace = 2.449345159908831 (3.13916e-05% change)
- linmin: converged after 3 iterations.
- iteration 309: trace = 2.449344700007341 (1.87765e-05% change)
- linmin: converged after 3 iterations.
- iteration 310: trace = 2.449344461723959 (9.72845e-06% change)
- large trace change predicted (2.59965e-05%)
- linmin: converged after 3 iterations.
- iteration 311: trace = 2.449343824905439 (2.59996e-05% change)
- linmin: converged after 13 iterations.
- iteration 312: trace = 2.449343407993338 (1.70214e-05% change)
- linmin: converged after 3 iterations.
- iteration 313: trace = 2.449342805493095 (2.45984e-05% change)
- linmin: converged after 3 iterations.
- iteration 314: trace = 2.44934203354582 (3.15165e-05% change)
- linmin: converged after 3 iterations.
- iteration 315: trace = 2.449341678730135 (1.44862e-05% change)
- linmin: converged after 5 iterations.
- iteration 316: trace = 2.44934140149551 (1.13187e-05% change)
- large trace change predicted (2.43969e-05%)
- linmin: converged after 6 iterations.
- iteration 317: trace = 2.44934080397584 (2.43951e-05% change)
- linmin: converged after 3 iterations.
- iteration 318: trace = 2.449340702299089 (4.15119e-06% change)
- large trace change predicted (1.53921e-05%)
- linmin: converged after 6 iterations.
- iteration 319: trace = 2.449340325357353 (1.53895e-05% change)
- linmin: converged after 5 iterations.
- iteration 320: trace = 2.449339981074667 (1.40561e-05% change)
- linmin: converged after 8 iterations.
- iteration 321: trace = 2.449339788744149 (7.85234e-06% change)
- large trace change predicted (2.02789e-05%)
- linmin: converged after 4 iterations.
- iteration 322: trace = 2.449339292252254 (2.02704e-05% change)
- linmin: converged after 7 iterations.
- iteration 323: trace = 2.44933842160769 (3.55461e-05% change)
- linmin: converged after 16 iterations.
- iteration 324: trace = 2.449338186363222 (9.60441e-06% change)
- large trace change predicted (1.98379e-05%)
- linmin: converged after 3 iterations.
- iteration 325: trace = 2.449337700681085 (1.98291e-05% change)
- linmin: converged after 3 iterations.
- iteration 326: trace = 2.449337031157789 (2.73349e-05% change)
- linmin: converged after 2 iterations.
- iteration 327: trace = 2.449336828199743 (8.28624e-06% change)
- large trace change predicted (2.8027e-05%)
- linmin: converged after 7 iterations.
- iteration 328: trace = 2.449336141930802 (2.80186e-05% change)
- linmin: converged after 4 iterations.
- iteration 329: trace = 2.449335000529667 (4.66004e-05% change)
- linmin: converged after 6 iterations.
- iteration 330: trace = 2.449334697911085 (1.23551e-05% change)
- large trace change predicted (4.78638e-05%)
- linmin: converged after 4 iterations.
- iteration 331: trace = 2.449333525369122 (4.78719e-05% change)
- linmin: converged after 4 iterations.
- iteration 332: trace = 2.449332696693291 (3.38327e-05% change)
- linmin: converged after 3 iterations.
- iteration 333: trace = 2.449332281081491 (1.69684e-05% change)
- large trace change predicted (3.54123e-05%)
- linmin: converged after 4 iterations.
- iteration 334: trace = 2.449331413512703 (3.54206e-05% change)
- linmin: converged after 4 iterations.
- iteration 335: trace = 2.449330622941821 (3.2277e-05% change)
- linmin: converged after 3 iterations.
- iteration 336: trace = 2.449330428852425 (7.92418e-06% change)
- linmin: converged after 4 iterations.
- iteration 337: trace = 2.449330054764462 (1.52731e-05% change)
- linmin: converged after 3 iterations.
- iteration 338: trace = 2.449329577707699 (1.9477e-05% change)
- linmin: converged after 12 iterations.
- iteration 339: trace = 2.449329458124164 (4.8823e-06% change)
- large trace change predicted (2.24194e-05%)
- linmin: converged after 3 iterations.
- iteration 340: trace = 2.449328908915495 (2.24228e-05% change)
- linmin: converged after 4 iterations.
- iteration 341: trace = 2.449328374324598 (2.1826e-05% change)
- linmin: converged after 4 iterations.
- iteration 342: trace = 2.449328131852412 (9.89954e-06% change)
- linmin: converged after 3 iterations.
- iteration 343: trace = 2.44932765071075 (1.96438e-05% change)
- large trace change predicted (4.09563e-05%)
- linmin: converged after 3 iterations.
- iteration 344: trace = 2.449326647324357 (4.09658e-05% change)
- linmin: converged after 3 iterations.
- iteration 345: trace = 2.449326292401046 (1.44906e-05% change)
- large trace change predicted (4.28457e-05%)
- linmin: converged after 4 iterations.
- iteration 346: trace = 2.449325242652457 (4.28587e-05% change)
- linmin: converged after 4 iterations.
- iteration 347: trace = 2.449324565108769 (2.76625e-05% change)
- linmin: converged after 3 iterations.
- iteration 348: trace = 2.449324247739938 (1.29574e-05% change)
- large trace change predicted (6.52592e-05%)
- linmin: converged after 3 iterations.
- iteration 349: trace = 2.449322648755448 (6.52827e-05% change)
- resetting CG direction...
- linmin: converged after 10 iterations.
- iteration 350: trace = 2.44932182330082 (3.37013e-05% change)
- linmin: converged after 5 iterations.
- iteration 351: trace = 2.449321538657195 (1.16213e-05% change)
- large trace change predicted (2.70756e-05%)
- linmin: converged after 10 iterations.
- iteration 352: trace = 2.44932087548005 (2.7076e-05% change)
- linmin: converged after 3 iterations.
- iteration 353: trace = 2.449320415058727 (1.87979e-05% change)
- linmin: converged after 2 iterations.
- iteration 354: trace = 2.449320089926187 (1.32744e-05% change)
- large trace change predicted (3.06443e-05%)
- linmin: converged after 4 iterations.
- iteration 355: trace = 2.449319339410571 (3.06418e-05% change)
- linmin: converged after 3 iterations.
- iteration 356: trace = 2.449319050758693 (1.1785e-05% change)
- linmin: converged after 4 iterations.
- iteration 357: trace = 2.449318841369459 (8.54888e-06% change)
- linmin: converged after 3 iterations.
- iteration 358: trace = 2.449318525134029 (1.29112e-05% change)
- linmin: converged after 4 iterations.
- iteration 359: trace = 2.449318339437406 (7.58156e-06% change)
- linmin: converged after 5 iterations.
- iteration 360: trace = 2.449318141226692 (8.09249e-06% change)
- linmin: converged after 3 iterations.
- iteration 361: trace = 2.44931787948778 (1.06862e-05% change)
- linmin: converged after 5 iterations.
- iteration 362: trace = 2.44931770640425 (7.0666e-06% change)
- linmin: converged after 5 iterations.
- iteration 363: trace = 2.449317560495567 (5.95712e-06% change)
- large trace change predicted (1.60532e-05%)
- linmin: converged after 5 iterations.
- iteration 364: trace = 2.44931716739285 (1.60495e-05% change)
- linmin: converged after 4 iterations.
- iteration 365: trace = 2.449316941746309 (9.21263e-06% change)
- linmin: converged after 3 iterations.
- iteration 366: trace = 2.449316538167191 (1.64772e-05% change)
- linmin: converged after 6 iterations.
- iteration 367: trace = 2.449316176695425 (1.47581e-05% change)
- linmin: converged after 3 iterations.
- iteration 368: trace = 2.449315946222193 (9.4097e-06% change)
- linmin: converged after 3 iterations.
- iteration 369: trace = 2.449315506213344 (1.79646e-05% change)
- linmin: converged after 10 iterations.
- iteration 370: trace = 2.449314980645124 (2.14578e-05% change)
- linmin: converged after 4 iterations.
- iteration 371: trace = 2.449314813028352 (6.84341e-06% change)
- large trace change predicted (1.37181e-05%)
- linmin: converged after 3 iterations.
- iteration 372: trace = 2.449314477003282 (1.37191e-05% change)
- linmin: converged after 4 iterations.
- iteration 373: trace = 2.449314086267051 (1.59529e-05% change)
- linmin: converged after 3 iterations.
- iteration 374: trace = 2.449313882630461 (8.31403e-06% change)
- linmin: converged after 3 iterations.
- iteration 375: trace = 2.449313638819782 (9.95424e-06% change)
- linmin: converged after 4 iterations.
- iteration 376: trace = 2.449313274468424 (1.48757e-05% change)
- linmin: converged after 4 iterations.
- iteration 377: trace = 2.449313158039814 (4.75352e-06% change)
- linmin: converged after 3 iterations.
- iteration 378: trace = 2.44931297582067 (7.4396e-06% change)
- linmin: converged after 5 iterations.
- iteration 379: trace = 2.44931280615865 (6.92692e-06% change)
- linmin: converged after 4 iterations.
- iteration 380: trace = 2.449312681184396 (5.10242e-06% change)
- linmin: converged after 5 iterations.
- iteration 381: trace = 2.4493126069395 (3.03125e-06% change)
- large trace change predicted (6.83387e-06%)
- linmin: converged after 2 iterations.
- iteration 382: trace = 2.449312439554117 (6.83397e-06% change)
- linmin: converged after 5 iterations.
- iteration 383: trace = 2.449312362010223 (3.16595e-06% change)
- linmin: converged after 7 iterations.
- iteration 384: trace = 2.449312221693228 (5.72883e-06% change)
- large trace change predicted (1.2079e-05%)
- linmin: converged after 3 iterations.
- iteration 385: trace = 2.449311925884899 (1.20772e-05% change)
- linmin: converged after 3 iterations.
- iteration 386: trace = 2.449311787177985 (5.6631e-06% change)
- large trace change predicted (1.32399e-05%)
- linmin: converged after 5 iterations.
- iteration 387: trace = 2.449311462937392 (1.3238e-05% change)
- linmin: converged after 3 iterations.
- iteration 388: trace = 2.449311287172683 (7.17609e-06% change)
- linmin: converged after 8 iterations.
- iteration 389: trace = 2.449311185924481 (4.13374e-06% change)
- large trace change predicted (9.60227e-06%)
- linmin: converged after 5 iterations.
- iteration 390: trace = 2.449310950783617 (9.60029e-06% change)
- linmin: converged after 5 iterations.
- iteration 391: trace = 2.449310640862508 (1.26534e-05% change)
- linmin: converged after 7 iterations.
- iteration 392: trace = 2.449310564375911 (3.12278e-06% change)
- large trace change predicted (1.03205e-05%)
- linmin: converged after 3 iterations.
- iteration 393: trace = 2.449310311632106 (1.0319e-05% change)
- linmin: converged after 3 iterations.
- iteration 394: trace = 2.449310112374825 (8.13524e-06% change)
- linmin: converged after 3 iterations.
- iteration 395: trace = 2.449310036078187 (3.11503e-06% change)
- large trace change predicted (8.76138e-06%)
- linmin: converged after 4 iterations.
- iteration 396: trace = 2.449309821484943 (8.76138e-06% change)
- linmin: converged after 5 iterations.
- iteration 397: trace = 2.449309636933419 (7.53484e-06% change)
- linmin: converged after 3 iterations.
- iteration 398: trace = 2.449309582587313 (2.21883e-06% change)
- large trace change predicted (7.83039e-06%)
- linmin: converged after 5 iterations.
- iteration 399: trace = 2.449309390799596 (7.83028e-06% change)
- linmin: converged after 5 iterations.
- iteration 400: trace = 2.449309275333445 (4.71423e-06% change)
- linmin: converged after 23 iterations.
- iteration 401: trace = 2.449309223830472 (2.10276e-06% change)
- large trace change predicted (8.60694e-06%)
- linmin: converged after 6 iterations.
- iteration 402: trace = 2.449309013034717 (8.60634e-06% change)
- linmin: converged after 5 iterations.
- iteration 403: trace = 2.449308868186215 (5.91385e-06% change)
- linmin: converged after 3 iterations.
- iteration 404: trace = 2.449308722834678 (5.93439e-06% change)
- linmin: converged after 9 iterations.
- iteration 405: trace = 2.449308522941983 (8.16119e-06% change)
- linmin: converged after 4 iterations.
- iteration 406: trace = 2.449308287529242 (9.6114e-06% change)
- linmin: converged after 11 iterations.
- iteration 407: trace = 2.449308225446371 (2.53471e-06% change)
- large trace change predicted (9.59192e-06%)
- linmin: converged after 5 iterations.
- iteration 408: trace = 2.449307990533196 (9.591e-06% change)
- linmin: converged after 2 iterations.
- iteration 409: trace = 2.44930786039872 (5.31311e-06% change)
- linmin: converged after 5 iterations.
- iteration 410: trace = 2.449307776754267 (3.41502e-06% change)
- linmin: converged after 4 iterations.
- iteration 411: trace = 2.44930766019738 (4.75877e-06% change)
- linmin: converged after 4 iterations.
- iteration 412: trace = 2.449307480245329 (7.34706e-06% change)
- linmin: converged after 7 iterations.
- iteration 413: trace = 2.44930741895273 (2.50245e-06% change)
- large trace change predicted (7.13145e-06%)
- linmin: converged after 5 iterations.
- iteration 414: trace = 2.449307244315649 (7.13006e-06% change)
- linmin: converged after 3 iterations.
- iteration 415: trace = 2.449307130174472 (4.66014e-06% change)
- linmin: converged after 3 iterations.
- iteration 416: trace = 2.449307041358999 (3.62615e-06% change)
- linmin: converged after 6 iterations.
- iteration 417: trace = 2.449306907042652 (5.48385e-06% change)
- linmin: converged after 7 iterations.
- iteration 418: trace = 2.449306846411126 (2.47546e-06% change)
- linmin: converged after 4 iterations.
- iteration 419: trace = 2.449306816804892 (1.20876e-06% change)
- resetting CG direction...
- linmin: converged after 15 iterations.
- iteration 420: trace = 2.449306792418263 (9.95654e-07% change)
- linmin: converged after 5 iterations.
- iteration 421: trace = 2.449306755408211 (1.51104e-06% change)
- large trace change predicted (3.63985e-06%)
- linmin: converged after 6 iterations.
- iteration 422: trace = 2.449306666252821 (3.64003e-06% change)
- linmin: converged after 4 iterations.
- iteration 423: trace = 2.449306602136914 (2.61772e-06% change)
- linmin: converged after 3 iterations.
- iteration 424: trace = 2.449306519641126 (3.36813e-06% change)
- large trace change predicted (8.18725e-06%)
- linmin: converged after 4 iterations.
- iteration 425: trace = 2.44930631908724 (8.18819e-06% change)
- linmin: converged after 3 iterations.
- iteration 426: trace = 2.449306271600339 (1.93879e-06% change)
- large trace change predicted (5.88032e-06%)
- linmin: converged after 5 iterations.
- iteration 427: trace = 2.449306127565736 (5.88063e-06% change)
- linmin: converged after 3 iterations.
- iteration 428: trace = 2.449306027614528 (4.0808e-06% change)
- linmin: converged after 5 iterations.
- iteration 429: trace = 2.449305994655025 (1.34567e-06% change)
- large trace change predicted (6.4049e-06%)
- linmin: converged after 4 iterations.
- iteration 430: trace = 2.449305837770847 (6.40525e-06% change)
- linmin: converged after 2 iterations.
- iteration 431: trace = 2.449305705704582 (5.39199e-06% change)
- linmin: converged after 3 iterations.
- iteration 432: trace = 2.449305638951834 (2.72537e-06% change)
- large trace change predicted (6.01762e-06%)
- linmin: converged after 3 iterations.
- iteration 433: trace = 2.449305491556085 (6.01786e-06% change)
- linmin: converged after 3 iterations.
- iteration 434: trace = 2.449305313775604 (7.2584e-06% change)
- linmin: converged after 3 iterations.
- iteration 435: trace = 2.449305256364343 (2.34398e-06% change)
- large trace change predicted (7.67122e-06%)
- linmin: converged after 3 iterations.
- iteration 436: trace = 2.449305068459433 (7.67176e-06% change)
- linmin: converged after 2 iterations.
- iteration 437: trace = 2.449304958419962 (4.49268e-06% change)
- linmin: converged after 3 iterations.
- iteration 438: trace = 2.449304917886444 (1.6549e-06% change)
- large trace change predicted (3.31934e-06%)
- linmin: converged after 4 iterations.
- iteration 439: trace = 2.449304836582585 (3.31947e-06% change)
- linmin: converged after 4 iterations.
- iteration 440: trace = 2.449304711689658 (5.09912e-06% change)
- linmin: converged after 2 iterations.
- iteration 441: trace = 2.449304680326612 (1.28049e-06% change)
- large trace change predicted (4.22057e-06%)
- linmin: converged after 4 iterations.
- iteration 442: trace = 2.449304576941234 (4.22101e-06% change)
- linmin: converged after 3 iterations.
- iteration 443: trace = 2.449304431279818 (5.94705e-06% change)
- linmin: converged after 8 iterations.
- iteration 444: trace = 2.449304383313033 (1.95838e-06% change)
- large trace change predicted (5.30008e-06%)
- linmin: converged after 3 iterations.
- iteration 445: trace = 2.449304253483403 (5.30067e-06% change)
- linmin: converged after 4 iterations.
- iteration 446: trace = 2.449304095098798 (6.46651e-06% change)
- linmin: converged after 8 iterations.
- iteration 447: trace = 2.449304053698725 (1.69028e-06% change)
- large trace change predicted (5.97949e-06%)
- linmin: converged after 5 iterations.
- iteration 448: trace = 2.449303907232898 (5.9799e-06% change)
- linmin: converged after 3 iterations.
- iteration 449: trace = 2.449303797535602 (4.47871e-06% change)
- linmin: converged after 3 iterations.
- iteration 450: trace = 2.44930373621516 (2.50359e-06% change)
- linmin: converged after 4 iterations.
- iteration 451: trace = 2.449303618741786 (4.79619e-06% change)
- linmin: converged after 3 iterations.
- iteration 452: trace = 2.449303439229621 (7.32911e-06% change)
- linmin: converged after 5 iterations.
- iteration 453: trace = 2.449303394965906 (1.8072e-06% change)
- large trace change predicted (6.12269e-06%)
- linmin: converged after 6 iterations.
- iteration 454: trace = 2.449303244997532 (6.1229e-06% change)
- linmin: converged after 18 iterations.
- iteration 455: trace = 2.449303125429011 (4.88174e-06% change)
- linmin: converged after 9 iterations.
- iteration 456: trace = 2.449303093838604 (1.28977e-06% change)
- large trace change predicted (4.80821e-06%)
- linmin: converged after 4 iterations.
- iteration 457: trace = 2.449302976074831 (4.80805e-06% change)
- linmin: converged after 4 iterations.
- iteration 458: trace = 2.449302933680515 (1.73087e-06% change)
- linmin: converged after 7 iterations.
- iteration 459: trace = 2.449302901682854 (1.3064e-06% change)
- large trace change predicted (3.03674e-06%)
- linmin: converged after 3 iterations.
- iteration 460: trace = 2.449302827309876 (3.0365e-06% change)
- linmin: converged after 6 iterations.
- iteration 461: trace = 2.449302741682878 (3.49597e-06% change)
- linmin: converged after 8 iterations.
- iteration 462: trace = 2.449302678294404 (2.58802e-06% change)
- large trace change predicted (7.1125e-06%)
- linmin: converged after 4 iterations.
- iteration 463: trace = 2.449302504151457 (7.1099e-06% change)
- linmin: converged after 4 iterations.
- iteration 464: trace = 2.449302431382238 (2.97102e-06% change)
- linmin: converged after 3 iterations.
- iteration 465: trace = 2.449302322795264 (4.43338e-06% change)
- linmin: converged after 5 iterations.
- iteration 466: trace = 2.449302163235641 (6.51449e-06% change)
- linmin: converged after 4 iterations.
- iteration 467: trace = 2.449302008603472 (6.31332e-06% change)
- linmin: converged after 5 iterations.
- iteration 468: trace = 2.449301954760395 (2.1983e-06% change)
- large trace change predicted (8.48473e-06%)
- linmin: converged after 4 iterations.
- iteration 469: trace = 2.449301746929865 (8.4853e-06% change)
- linmin: converged after 3 iterations.
- iteration 470: trace = 2.44930158499688 (6.61139e-06% change)
- linmin: converged after 2 iterations.
- iteration 471: trace = 2.449301519537809 (2.67256e-06% change)
- large trace change predicted (9.02635e-06%)
- linmin: converged after 4 iterations.
- iteration 472: trace = 2.44930129839495 (9.02881e-06% change)
- linmin: converged after 3 iterations.
- iteration 473: trace = 2.449301095773646 (8.27262e-06% change)
- linmin: converged after 6 iterations.
- iteration 474: trace = 2.449301056541607 (1.60176e-06% change)
- large trace change predicted (5.27166e-06%)
- linmin: converged after 3 iterations.
- iteration 475: trace = 2.44930092741027 (5.27217e-06% change)
- linmin: converged after 4 iterations.
- iteration 476: trace = 2.449300845753241 (3.33389e-06% change)
- linmin: converged after 5 iterations.
- iteration 477: trace = 2.449300815360409 (1.24088e-06% change)
- large trace change predicted (4.15168e-06%)
- linmin: converged after 3 iterations.
- iteration 478: trace = 2.449300713665282 (4.15201e-06% change)
- linmin: converged after 5 iterations.
- iteration 479: trace = 2.44930065569095 (2.36697e-06% change)
- linmin: converged after 9 iterations.
- iteration 480: trace = 2.449300597626611 (2.37065e-06% change)
- linmin: converged after 4 iterations.
- iteration 481: trace = 2.449300520992366 (3.12882e-06% change)
- linmin: converged after 2 iterations.
- iteration 482: trace = 2.449300397210258 (5.05377e-06% change)
- linmin: converged after 4 iterations.
- iteration 483: trace = 2.449300361225267 (1.46919e-06% change)
- large trace change predicted (7.04655e-06%)
- linmin: converged after 4 iterations.
- iteration 484: trace = 2.449300188636986 (7.04643e-06% change)
- linmin: converged after 6 iterations.
- iteration 485: trace = 2.449300078732668 (4.48717e-06% change)
- linmin: converged after 3 iterations.
- iteration 486: trace = 2.449300012246638 (2.71449e-06% change)
- large trace change predicted (8.02864e-06%)
- linmin: converged after 5 iterations.
- iteration 487: trace = 2.44929981560621 (8.02843e-06% change)
- linmin: converged after 4 iterations.
- iteration 488: trace = 2.449299699773492 (4.72922e-06% change)
- linmin: converged after 3 iterations.
- iteration 489: trace = 2.449299554635778 (5.92568e-06% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 490: trace = 2.449299429470633 (5.11024e-06% change)
- linmin: converged after 6 iterations.
- iteration 491: trace = 2.44929934287215 (3.53564e-06% change)
- linmin: converged after 2 iterations.
- iteration 492: trace = 2.449299184030745 (6.48518e-06% change)
- linmin: converged after 2 iterations.
- iteration 493: trace = 2.4492991172159 (2.72792e-06% change)
- linmin: converged after 3 iterations.
- iteration 494: trace = 2.449299029092498 (3.5979e-06% change)
- linmin: converged after 6 iterations.
- iteration 495: trace = 2.449298878690034 (6.14063e-06% change)
- linmin: converged after 9 iterations.
- iteration 496: trace = 2.449298852434448 (1.07196e-06% change)
- large trace change predicted (3.65764e-06%)
- linmin: converged after 5 iterations.
- iteration 497: trace = 2.449298762853906 (3.6574e-06% change)
- linmin: converged after 3 iterations.
- iteration 498: trace = 2.449298701121422 (2.52041e-06% change)
- linmin: converged after 8 iterations.
- iteration 499: trace = 2.449298684309333 (6.86404e-07% change)
- large trace change predicted (2.9529e-06%)
- linmin: converged after 3 iterations.
- iteration 500: trace = 2.449298611988475 (2.95272e-06% change)
- linmin: converged after 4 iterations.
- iteration 501: trace = 2.449298544671136 (2.74843e-06% change)
- linmin: converged after 4 iterations.
- iteration 502: trace = 2.449298524508349 (8.23207e-07% change)
- large trace change predicted (2.02023e-06%)
- linmin: converged after 3 iterations.
- iteration 503: trace = 2.449298475026414 (2.02025e-06% change)
- linmin: converged after 6 iterations.
- iteration 504: trace = 2.449298389023014 (3.51135e-06% change)
- linmin: converged after 7 iterations.
- iteration 505: trace = 2.449298367868543 (8.63695e-07% change)
- large trace change predicted (5.21918e-06%)
- linmin: converged after 11 iterations.
- iteration 506: trace = 2.449298240054867 (5.21838e-06% change)
- linmin: converged after 3 iterations.
- iteration 507: trace = 2.449298135550526 (4.26671e-06% change)
- linmin: converged after 4 iterations.
- iteration 508: trace = 2.449298096211906 (1.60612e-06% change)
- large trace change predicted (3.74886e-06%)
- linmin: converged after 5 iterations.
- iteration 509: trace = 2.449298004395614 (3.74868e-06% change)
- linmin: converged after 3 iterations.
- iteration 510: trace = 2.449297894952925 (4.46833e-06% change)
- linmin: converged after 5 iterations.
- iteration 511: trace = 2.449297866227305 (1.17281e-06% change)
- large trace change predicted (3.52397e-06%)
- linmin: converged after 5 iterations.
- iteration 512: trace = 2.449297779911246 (3.52411e-06% change)
- linmin: converged after 4 iterations.
- iteration 513: trace = 2.449297717736781 (2.53846e-06% change)
- linmin: converged after 2 iterations.
- iteration 514: trace = 2.44929767422181 (1.77663e-06% change)
- linmin: converged after 4 iterations.
- iteration 515: trace = 2.449297595829442 (3.20061e-06% change)
- linmin: converged after 5 iterations.
- iteration 516: trace = 2.449297535145935 (2.47759e-06% change)
- linmin: converged after 16 iterations.
- iteration 517: trace = 2.449297502630137 (1.32756e-06% change)
- linmin: converged after 5 iterations.
- iteration 518: trace = 2.449297448020834 (2.22959e-06% change)
- linmin: converged after 4 iterations.
- iteration 519: trace = 2.449297416470452 (1.28814e-06% change)
- linmin: converged after 10 iterations.
- iteration 520: trace = 2.449297391050599 (1.03784e-06% change)
- linmin: converged after 6 iterations.
- iteration 521: trace = 2.449297372997664 (7.37066e-07% change)
- large trace change predicted (1.84029e-06%)
- linmin: converged after 21 iterations.
- iteration 522: trace = 2.449297327923096 (1.84031e-06% change)
- linmin: converged after 3 iterations.
- iteration 523: trace = 2.449297313603914 (5.84624e-07% change)
- large trace change predicted (1.99333e-06%)
- linmin: converged after 6 iterations.
- iteration 524: trace = 2.44929726478399 (1.99322e-06% change)
- linmin: converged after 4 iterations.
- iteration 525: trace = 2.449297211835038 (2.1618e-06% change)
- linmin: converged after 5 iterations.
- iteration 526: trace = 2.449297190260008 (8.80866e-07% change)
- large trace change predicted (3.57537e-06%)
- linmin: converged after 4 iterations.
- iteration 527: trace = 2.449297102693991 (3.57515e-06% change)
- linmin: converged after 3 iterations.
- iteration 528: trace = 2.449297053396339 (2.01273e-06% change)
- linmin: converged after 11 iterations.
- iteration 529: trace = 2.449297032619429 (8.48281e-07% change)
- linmin: converged after 4 iterations.
- iteration 530: trace = 2.449296992673108 (1.63093e-06% change)
- linmin: converged after 4 iterations.
- iteration 531: trace = 2.44929693720552 (2.26463e-06% change)
- linmin: converged after 4 iterations.
- iteration 532: trace = 2.449296918078637 (7.80913e-07% change)
- large trace change predicted (2.63007e-06%)
- linmin: converged after 8 iterations.
- iteration 533: trace = 2.449296853660734 (2.63006e-06% change)
- linmin: converged after 11 iterations.
- iteration 534: trace = 2.449296804496899 (2.00726e-06% change)
- linmin: converged after 4 iterations.
- iteration 535: trace = 2.449296787316758 (7.01432e-07% change)
- large trace change predicted (2.03404e-06%)
- linmin: converged after 3 iterations.
- iteration 536: trace = 2.449296737499339 (2.03395e-06% change)
- linmin: converged after 4 iterations.
- iteration 537: trace = 2.449296699204011 (1.56352e-06% change)
- linmin: converged after 24 iterations.
- iteration 538: trace = 2.449296688959647 (4.18257e-07% change)
- large trace change predicted (1.80255e-06%)
- linmin: converged after 7 iterations.
- iteration 539: trace = 2.449296644811075 (1.8025e-06% change)
- linmin: converged after 4 iterations.
- iteration 540: trace = 2.449296623989745 (8.50094e-07% change)
- linmin: converged after 5 iterations.
- iteration 541: trace = 2.449296607558735 (6.70846e-07% change)
- large trace change predicted (1.65871e-06%)
- linmin: converged after 9 iterations.
- iteration 542: trace = 2.449296566932979 (1.65867e-06% change)
- linmin: converged after 12 iterations.
- iteration 543: trace = 2.449296533664887 (1.35827e-06% change)
- linmin: converged after 7 iterations.
- iteration 544: trace = 2.449296499850904 (1.38056e-06% change)
- linmin: converged after 8 iterations.
- iteration 545: trace = 2.449296446432119 (2.18098e-06% change)
- linmin: converged after 4 iterations.
- iteration 546: trace = 2.449296409222726 (1.51919e-06% change)
- linmin: converged after 8 iterations.
- iteration 547: trace = 2.449296389246551 (8.15588e-07% change)
- large trace change predicted (1.98142e-06%)
- linmin: converged after 4 iterations.
- iteration 548: trace = 2.449296340716756 (1.98138e-06% change)
- linmin: converged after 5 iterations.
- iteration 549: trace = 2.44929629881578 (1.71074e-06% change)
- linmin: converged after 16 iterations.
- iteration 550: trace = 2.449296286326081 (5.0993e-07% change)
- large trace change predicted (1.11906e-06%)
- linmin: converged after 4 iterations.
- iteration 551: trace = 2.449296258917512 (1.11904e-06% change)
- linmin: converged after 4 iterations.
- iteration 552: trace = 2.449296221615067 (1.52299e-06% change)
- linmin: converged after 2 iterations.
- iteration 553: trace = 2.449296208133059 (5.50444e-07% change)
- large trace change predicted (1.9645e-06%)
- linmin: converged after 7 iterations.
- iteration 554: trace = 2.449296160018755 (1.96441e-06% change)
- linmin: converged after 4 iterations.
- iteration 555: trace = 2.449296140838978 (7.83073e-07% change)
- linmin: converged after 4 iterations.
- iteration 556: trace = 2.449296123085604 (7.24836e-07% change)
- linmin: converged after 3 iterations.
- iteration 557: trace = 2.449296099647464 (9.56934e-07% change)
- linmin: converged after 7 iterations.
- iteration 558: trace = 2.449296088925706 (4.37749e-07% change)
- linmin: converged after 9 iterations.
- iteration 559: trace = 2.449296082398317 (2.66501e-07% change)
- resetting CG direction...
- linmin: converged after 10 iterations.
- iteration 560: trace = 2.449296076458252 (2.42521e-07% change)
- linmin: converged after 4 iterations.
- iteration 561: trace = 2.449296068067724 (3.42569e-07% change)
- large trace change predicted (8.2067e-07%)
- linmin: converged after 3 iterations.
- iteration 562: trace = 2.449296047966818 (8.20681e-07% change)
- linmin: converged after 2 iterations.
- iteration 563: trace = 2.449296033437271 (5.93213e-07% change)
- linmin: converged after 9 iterations.
- iteration 564: trace = 2.449296015820339 (7.19265e-07% change)
- large trace change predicted (1.91135e-06%)
- linmin: converged after 14 iterations.
- iteration 565: trace = 2.449295969003428 (1.91144e-06% change)
- linmin: converged after 4 iterations.
- iteration 566: trace = 2.449295956077304 (5.27749e-07% change)
- large trace change predicted (1.34565e-06%)
- linmin: converged after 2 iterations.
- iteration 567: trace = 2.449295923118196 (1.34566e-06% change)
- linmin: converged after 13 iterations.
- iteration 568: trace = 2.449295899340693 (9.70789e-07% change)
- linmin: converged after 13 iterations.
- iteration 569: trace = 2.449295890442377 (3.63301e-07% change)
- large trace change predicted (1.39342e-06%)
- linmin: converged after 3 iterations.
- iteration 570: trace = 2.449295856312726 (1.39345e-06% change)
- linmin: converged after 16 iterations.
- iteration 571: trace = 2.449295823140564 (1.35436e-06% change)
- linmin: converged after 10 iterations.
- iteration 572: trace = 2.449295807003971 (6.58826e-07% change)
- large trace change predicted (1.44814e-06%)
- linmin: converged after 5 iterations.
- iteration 573: trace = 2.449295771533152 (1.4482e-06% change)
- linmin: converged after 5 iterations.
- iteration 574: trace = 2.449295727555186 (1.79554e-06% change)
- linmin: converged after 9 iterations.
- iteration 575: trace = 2.449295712153016 (6.28841e-07% change)
- large trace change predicted (1.3139e-06%)
- linmin: converged after 7 iterations.
- iteration 576: trace = 2.449295679970796 (1.31394e-06% change)
- linmin: converged after 5 iterations.
- iteration 577: trace = 2.449295651212337 (1.17415e-06% change)
- linmin: converged after 2 iterations.
- iteration 578: trace = 2.449295642594985 (3.5183e-07% change)
- large trace change predicted (8.4235e-07%)
- linmin: converged after 5 iterations.
- iteration 579: trace = 2.449295621962583 (8.42381e-07% change)
- linmin: converged after 21 iterations.
- iteration 580: trace = 2.449295594146689 (1.13567e-06% change)
- linmin: converged after 4 iterations.
- iteration 581: trace = 2.449295587613738 (2.66728e-07% change)
- large trace change predicted (1.08307e-06%)
- linmin: converged after 10 iterations.
- iteration 582: trace = 2.449295561084804 (1.08313e-06% change)
- linmin: converged after 3 iterations.
- iteration 583: trace = 2.449295530508905 (1.24835e-06% change)
- linmin: converged after 4 iterations.
- iteration 584: trace = 2.449295520181253 (4.21658e-07% change)
- large trace change predicted (1.42209e-06%)
- linmin: converged after 9 iterations.
- iteration 585: trace = 2.449295485348387 (1.42216e-06% change)
- linmin: converged after 5 iterations.
- iteration 586: trace = 2.449295446972909 (1.5668e-06% change)
- linmin: converged after 4 iterations.
- iteration 587: trace = 2.449295437633795 (3.81298e-07% change)
- large trace change predicted (1.45631e-06%)
- linmin: converged after 8 iterations.
- iteration 588: trace = 2.449295401963015 (1.45637e-06% change)
- linmin: converged after 10 iterations.
- iteration 589: trace = 2.449295376839459 (1.02575e-06% change)
- linmin: converged after 3 iterations.
- iteration 590: trace = 2.449295361870868 (6.11139e-07% change)
- linmin: converged after 2 iterations.
- iteration 591: trace = 2.449295337047406 (1.01349e-06% change)
- linmin: converged after 4 iterations.
- iteration 592: trace = 2.449295293299488 (1.78614e-06% change)
- linmin: converged after 4 iterations.
- iteration 593: trace = 2.449295282239425 (4.51561e-07% change)
- large trace change predicted (1.28824e-06%)
- linmin: converged after 4 iterations.
- iteration 594: trace = 2.449295250685992 (1.28827e-06% change)
- linmin: converged after 5 iterations.
- iteration 595: trace = 2.449295221824196 (1.17837e-06% change)
- linmin: converged after 2 iterations.
- iteration 596: trace = 2.44929521386984 (3.24761e-07% change)
- large trace change predicted (1.03584e-06%)
- linmin: converged after 4 iterations.
- iteration 597: trace = 2.449295188499494 (1.03582e-06% change)
- linmin: converged after 6 iterations.
- iteration 598: trace = 2.449295177111954 (4.64931e-07% change)
- linmin: converged after 3 iterations.
- iteration 599: trace = 2.449295168897962 (3.35361e-07% change)
- linmin: converged after 4 iterations.
- iteration 600: trace = 2.449295153614405 (6.23998e-07% change)
- linmin: converged after 4 iterations.
- iteration 601: trace = 2.449295131232283 (9.13819e-07% change)
- linmin: converged after 18 iterations.
- iteration 602: trace = 2.449295121822322 (3.84191e-07% change)
- large trace change predicted (1.77567e-06%)
- linmin: converged after 13 iterations.
- iteration 603: trace = 2.449295078339307 (1.77533e-06% change)
- linmin: converged after 4 iterations.
- iteration 604: trace = 2.449295043926324 (1.40502e-06% change)
- linmin: converged after 4 iterations.
- iteration 605: trace = 2.44929503094616 (5.29955e-07% change)
- large trace change predicted (1.5279e-06%)
- linmin: converged after 9 iterations.
- iteration 606: trace = 2.449294993525982 (1.52779e-06% change)
- linmin: converged after 19 iterations.
- iteration 607: trace = 2.449294956707033 (1.50325e-06% change)
- linmin: converged after 2 iterations.
- iteration 608: trace = 2.449294939272067 (7.11836e-07% change)
- large trace change predicted (1.60246e-06%)
- linmin: converged after 3 iterations.
- iteration 609: trace = 2.449294900021942 (1.60251e-06% change)
- linmin: converged after 6 iterations.
- iteration 610: trace = 2.449294857711322 (1.72746e-06% change)
- linmin: converged after 14 iterations.
- iteration 611: trace = 2.449294830745647 (1.10096e-06% change)
- linmin: converged after 4 iterations.
- iteration 612: trace = 2.44929480176176 (1.18336e-06% change)
- linmin: converged after 4 iterations.
- iteration 613: trace = 2.449294753618048 (1.96562e-06% change)
- linmin: converged after 4 iterations.
- iteration 614: trace = 2.449294744950016 (3.53899e-07% change)
- large trace change predicted (1.28832e-06%)
- linmin: converged after 6 iterations.
- iteration 615: trace = 2.449294713392934 (1.28842e-06% change)
- linmin: converged after 4 iterations.
- iteration 616: trace = 2.449294693129423 (8.2732e-07% change)
- linmin: converged after 8 iterations.
- iteration 617: trace = 2.449294677932421 (6.20464e-07% change)
- linmin: converged after 8 iterations.
- iteration 618: trace = 2.449294664915564 (5.31453e-07% change)
- linmin: converged after 9 iterations.
- iteration 619: trace = 2.449294640543842 (9.95051e-07% change)
- linmin: converged after 13 iterations.
- iteration 620: trace = 2.449294633871995 (2.72399e-07% change)
- large trace change predicted (6.53942e-07%)
- linmin: converged after 5 iterations.
- iteration 621: trace = 2.449294617854707 (6.53955e-07% change)
- linmin: converged after 11 iterations.
- iteration 622: trace = 2.44929458844143 (1.20089e-06% change)
- linmin: converged after 13 iterations.
- iteration 623: trace = 2.449294565662547 (9.30018e-07% change)
- linmin: converged after 4 iterations.
- iteration 624: trace = 2.449294538123795 (1.12435e-06% change)
- linmin: converged after 3 iterations.
- iteration 625: trace = 2.449294506644298 (1.28525e-06% change)
- linmin: converged after 7 iterations.
- iteration 626: trace = 2.449294488678851 (7.33495e-07% change)
- linmin: converged after 4 iterations.
- iteration 627: trace = 2.449294456059742 (1.33178e-06% change)
- linmin: converged after 5 iterations.
- iteration 628: trace = 2.44929441222657 (1.78962e-06% change)
- linmin: converged after 5 iterations.
- iteration 629: trace = 2.44929437856458 (1.37435e-06% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 630: trace = 2.449294348225139 (1.2387e-06% change)
- linmin: converged after 6 iterations.
- iteration 631: trace = 2.449294311729159 (1.49006e-06% change)
- linmin: converged after 5 iterations.
- iteration 632: trace = 2.449294283566208 (1.14984e-06% change)
- linmin: converged after 12 iterations.
- iteration 633: trace = 2.44929426721953 (6.67404e-07% change)
- linmin: converged after 3 iterations.
- iteration 634: trace = 2.449294240152789 (1.10508e-06% change)
- linmin: converged after 2 iterations.
- iteration 635: trace = 2.449294216841413 (9.51759e-07% change)
- linmin: converged after 7 iterations.
- iteration 636: trace = 2.449294200573756 (6.64177e-07% change)
- linmin: converged after 3 iterations.
- iteration 637: trace = 2.44929417672032 (9.7389e-07% change)
- linmin: converged after 4 iterations.
- iteration 638: trace = 2.449294169224955 (3.06021e-07% change)
- linmin: converged after 5 iterations.
- iteration 639: trace = 2.449294160732715 (3.46722e-07% change)
- large trace change predicted (7.45905e-07%)
- linmin: converged after 5 iterations.
- iteration 640: trace = 2.449294142463735 (7.45888e-07% change)
- linmin: converged after 2 iterations.
- iteration 641: trace = 2.449294137792205 (1.9073e-07% change)
- large trace change predicted (5.92936e-07%)
- linmin: converged after 5 iterations.
- iteration 642: trace = 2.449294123269853 (5.9292e-07% change)
- linmin: converged after 3 iterations.
- iteration 643: trace = 2.449294110542836 (5.1962e-07% change)
- linmin: converged after 9 iterations.
- iteration 644: trace = 2.449294102403012 (3.32333e-07% change)
- large trace change predicted (6.66144e-07%)
- linmin: converged after 4 iterations.
- iteration 645: trace = 2.449294086087627 (6.66126e-07% change)
- linmin: converged after 9 iterations.
- iteration 646: trace = 2.449294054702321 (1.2814e-06% change)
- linmin: converged after 7 iterations.
- iteration 647: trace = 2.449294040562214 (5.77314e-07% change)
- linmin: converged after 4 iterations.
- iteration 648: trace = 2.449294022097127 (7.53894e-07% change)
- linmin: converged after 8 iterations.
- iteration 649: trace = 2.449293998998872 (9.43058e-07% change)
- linmin: converged after 9 iterations.
- iteration 650: trace = 2.449293981243777 (7.24907e-07% change)
- linmin: converged after 12 iterations.
- iteration 651: trace = 2.449293968078251 (5.37523e-07% change)
- linmin: converged after 16 iterations.
- iteration 652: trace = 2.449293948649922 (7.93222e-07% change)
- linmin: converged after 5 iterations.
- iteration 653: trace = 2.449293939222242 (3.84914e-07% change)
- linmin: converged after 3 iterations.
- iteration 654: trace = 2.44929392374868 (6.31756e-07% change)
- linmin: converged after 5 iterations.
- iteration 655: trace = 2.449293905575563 (7.41974e-07% change)
- linmin: converged after 4 iterations.
- iteration 656: trace = 2.449293900160324 (2.21094e-07% change)
- large trace change predicted (6.95558e-07%)
- linmin: converged after 4 iterations.
- iteration 657: trace = 2.449293883122324 (6.95629e-07% change)
- linmin: converged after 8 iterations.
- iteration 658: trace = 2.449293870445803 (5.17558e-07% change)
- linmin: converged after 18 iterations.
- iteration 659: trace = 2.449293863998098 (2.63248e-07% change)
- linmin: converged after 15 iterations.
- iteration 660: trace = 2.449293861031792 (1.21109e-07% change)
- large trace change predicted (3.32179e-07%)
- linmin: converged after 3 iterations.
- iteration 661: trace = 2.449293852895654 (3.32183e-07% change)
- linmin: converged after 13 iterations.
- iteration 662: trace = 2.449293842369846 (4.29749e-07% change)
- linmin: converged after 4 iterations.
- iteration 663: trace = 2.449293839232275 (1.28101e-07% change)
- large trace change predicted (4.21875e-07%)
- linmin: converged after 4 iterations.
- iteration 664: trace = 2.449293828899499 (4.21868e-07% change)
- linmin: converged after 4 iterations.
- iteration 665: trace = 2.449293815336883 (5.53736e-07% change)
- linmin: converged after 4 iterations.
- iteration 666: trace = 2.449293810047407 (2.15959e-07% change)
- large trace change predicted (8.1053e-07%)
- linmin: converged after 8 iterations.
- iteration 667: trace = 2.449293790195751 (8.10505e-07% change)
- linmin: converged after 4 iterations.
- iteration 668: trace = 2.449293782273859 (3.23436e-07% change)
- linmin: converged after 11 iterations.
- iteration 669: trace = 2.449293775394512 (2.80871e-07% change)
- linmin: converged after 5 iterations.
- iteration 670: trace = 2.449293764945047 (4.26632e-07% change)
- linmin: converged after 5 iterations.
- iteration 671: trace = 2.449293756504798 (3.44599e-07% change)
- linmin: converged after 4 iterations.
- iteration 672: trace = 2.44929374722218 (3.78992e-07% change)
- linmin: converged after 15 iterations.
- iteration 673: trace = 2.449293731960705 (6.23097e-07% change)
- linmin: converged after 13 iterations.
- iteration 674: trace = 2.449293725417255 (2.67157e-07% change)
- linmin: converged after 4 iterations.
- iteration 675: trace = 2.44929371615482 (3.78168e-07% change)
- linmin: converged after 5 iterations.
- iteration 676: trace = 2.449293704609577 (4.7137e-07% change)
- linmin: converged after 4 iterations.
- iteration 677: trace = 2.449293696774195 (3.19904e-07% change)
- linmin: converged after 2 iterations.
- iteration 678: trace = 2.449293693571425 (1.30763e-07% change)
- large trace change predicted (4.15708e-07%)
- linmin: converged after 16 iterations.
- iteration 679: trace = 2.449293683389681 (4.15701e-07% change)
- linmin: converged after 3 iterations.
- iteration 680: trace = 2.449293679386666 (1.63435e-07% change)
- linmin: converged after 23 iterations.
- iteration 681: trace = 2.449293674621555 (1.9455e-07% change)
- linmin: converged after 7 iterations.
- iteration 682: trace = 2.449293665308911 (3.80218e-07% change)
- linmin: converged after 5 iterations.
- iteration 683: trace = 2.449293659723073 (2.28059e-07% change)
- linmin: converged after 4 iterations.
- iteration 684: trace = 2.449293649596636 (4.13443e-07% change)
- linmin: converged after 5 iterations.
- iteration 685: trace = 2.449293637100528 (5.10192e-07% change)
- linmin: converged after 5 iterations.
- iteration 686: trace = 2.449293630006 (2.89656e-07% change)
- linmin: converged after 3 iterations.
- iteration 687: trace = 2.449293623719263 (2.56676e-07% change)
- linmin: converged after 3 iterations.
- iteration 688: trace = 2.449293612301654 (4.66159e-07% change)
- linmin: converged after 4 iterations.
- iteration 689: trace = 2.449293603402506 (3.63335e-07% change)
- linmin: converged after 4 iterations.
- iteration 690: trace = 2.449293600123875 (1.3386e-07% change)
- linmin: converged after 7 iterations.
- iteration 691: trace = 2.449293593941523 (2.52414e-07% change)
- linmin: converged after 4 iterations.
- iteration 692: trace = 2.449293584845991 (3.71353e-07% change)
- linmin: converged after 3 iterations.
- iteration 693: trace = 2.449293581503368 (1.36473e-07% change)
- large trace change predicted (4.86326e-07%)
- linmin: converged after 5 iterations.
- iteration 694: trace = 2.449293569592126 (4.86313e-07% change)
- linmin: converged after 6 iterations.
- iteration 695: trace = 2.44929356405537 (2.26055e-07% change)
- linmin: converged after 4 iterations.
- iteration 696: trace = 2.44929356123884 (1.14994e-07% change)
- linmin: converged after 4 iterations.
- iteration 697: trace = 2.449293555906936 (2.17691e-07% change)
- linmin: converged after 6 iterations.
- iteration 698: trace = 2.449293553202247 (1.10427e-07% change)
- linmin: converged after 23 iterations.
- iteration 699: trace = 2.449293552072011 (4.61454e-08% change)
- resetting CG direction...
- linmin: converged after 18 iterations.
- iteration 700: trace = 2.449293550991635 (4.41097e-08% change)
- large trace change predicted (9.53215e-08%)
- linmin: converged after 17 iterations.
- iteration 701: trace = 2.449293548656932 (9.53215e-08% change)
- linmin: converged after 10 iterations.
- iteration 702: trace = 2.449293544302831 (1.7777e-07% change)
- linmin: converged after 14 iterations.
- iteration 703: trace = 2.449293542252224 (8.37224e-08% change)
- large trace change predicted (2.38125e-07%)
- linmin: converged after 15 iterations.
- iteration 704: trace = 2.449293536419747 (2.38129e-07% change)
- linmin: converged after 5 iterations.
- iteration 705: trace = 2.449293525471346 (4.47002e-07% change)
- linmin: converged after 4 iterations.
- iteration 706: trace = 2.449293523232405 (9.14117e-08% change)
- large trace change predicted (3.81117e-07%)
- linmin: converged after 4 iterations.
- iteration 707: trace = 2.449293513897719 (3.81117e-07% change)
- linmin: converged after 2 iterations.
- iteration 708: trace = 2.44929350925396 (1.89596e-07% change)
- linmin: converged after 2 iterations.
- iteration 709: trace = 2.449293507155359 (8.56819e-08% change)
- large trace change predicted (3.53602e-07%)
- linmin: converged after 13 iterations.
- iteration 710: trace = 2.449293498494528 (3.53605e-07% change)
- linmin: converged after 7 iterations.
- iteration 711: trace = 2.449293493006601 (2.24062e-07% change)
- linmin: converged after 4 iterations.
- iteration 712: trace = 2.449293487839301 (2.10971e-07% change)
- linmin: converged after 16 iterations.
- iteration 713: trace = 2.449293479353592 (3.46455e-07% change)
- linmin: converged after 4 iterations.
- iteration 714: trace = 2.449293468416725 (4.46532e-07% change)
- linmin: converged after 4 iterations.
- iteration 715: trace = 2.449293466204248 (9.03312e-08% change)
- large trace change predicted (3.94189e-07%)
- linmin: converged after 11 iterations.
- iteration 716: trace = 2.449293456549298 (3.94193e-07% change)
- linmin: converged after 13 iterations.
- iteration 717: trace = 2.449293450153768 (2.61117e-07% change)
- linmin: converged after 6 iterations.
- iteration 718: trace = 2.449293448035268 (8.64943e-08% change)
- large trace change predicted (1.93877e-07%)
- linmin: converged after 28 iterations.
- iteration 719: trace = 2.449293443286568 (1.9388e-07% change)
- linmin: converged after 15 iterations.
- iteration 720: trace = 2.449293436842403 (2.63103e-07% change)
- linmin: converged after 15 iterations.
- iteration 721: trace = 2.449293435159273 (6.8719e-08% change)
- large trace change predicted (2.37797e-07%)
- linmin: converged after 5 iterations.
- iteration 722: trace = 2.449293429334772 (2.37803e-07% change)
- linmin: converged after 4 iterations.
- iteration 723: trace = 2.449293422493635 (2.79311e-07% change)
- linmin: converged after 4 iterations.
- iteration 724: trace = 2.449293419681655 (1.14808e-07% change)
- large trace change predicted (3.57375e-07%)
- linmin: converged after 5 iterations.
- iteration 725: trace = 2.44929341092825 (3.57385e-07% change)
- linmin: converged after 15 iterations.
- iteration 726: trace = 2.449293401365326 (3.90436e-07% change)
- linmin: converged after 2 iterations.
- iteration 727: trace = 2.449293399194356 (8.86366e-08% change)
- large trace change predicted (3.60791e-07%)
- linmin: converged after 7 iterations.
- iteration 728: trace = 2.449293390357389 (3.60797e-07% change)
- linmin: converged after 4 iterations.
- iteration 729: trace = 2.449293384374638 (2.44264e-07% change)
- linmin: converged after 5 iterations.
- iteration 730: trace = 2.44929338047391 (1.59259e-07% change)
- linmin: converged after 13 iterations.
- iteration 731: trace = 2.449293374939781 (2.25948e-07% change)
- linmin: converged after 7 iterations.
- iteration 732: trace = 2.449293364309407 (4.34018e-07% change)
- linmin: converged after 4 iterations.
- iteration 733: trace = 2.44929336120834 (1.26611e-07% change)
- large trace change predicted (2.67648e-07%)
- linmin: converged after 10 iterations.
- iteration 734: trace = 2.449293354652786 (2.67651e-07% change)
- linmin: converged after 3 iterations.
- iteration 735: trace = 2.449293347813783 (2.79223e-07% change)
- linmin: converged after 7 iterations.
- iteration 736: trace = 2.449293344877164 (1.19897e-07% change)
- linmin: converged after 7 iterations.
- iteration 737: trace = 2.449293340072515 (1.96165e-07% change)
- linmin: converged after 7 iterations.
- iteration 738: trace = 2.449293336689746 (1.38112e-07% change)
- linmin: converged after 4 iterations.
- iteration 739: trace = 2.449293334995321 (6.91801e-08% change)
- large trace change predicted (1.41621e-07%)
- linmin: converged after 7 iterations.
- iteration 740: trace = 2.44929333152668 (1.41618e-07% change)
- linmin: converged after 5 iterations.
- iteration 741: trace = 2.449293325592226 (2.42293e-07% change)
- linmin: converged after 8 iterations.
- iteration 742: trace = 2.449293323676253 (7.82255e-08% change)
- large trace change predicted (3.90224e-07%)
- linmin: converged after 7 iterations.
- iteration 743: trace = 2.449293314119286 (3.90193e-07% change)
- linmin: converged after 4 iterations.
- iteration 744: trace = 2.449293305051359 (3.70226e-07% change)
- linmin: converged after 4 iterations.
- iteration 745: trace = 2.449293301228793 (1.56068e-07% change)
- linmin: converged after 5 iterations.
- iteration 746: trace = 2.449293293759903 (3.04941e-07% change)
- linmin: converged after 4 iterations.
- iteration 747: trace = 2.449293285259246 (3.47066e-07% change)
- linmin: converged after 4 iterations.
- iteration 748: trace = 2.449293281581426 (1.50158e-07% change)
- large trace change predicted (4.0202e-07%)
- linmin: converged after 5 iterations.
- iteration 749: trace = 2.449293271734551 (4.02029e-07% change)
- linmin: converged after 10 iterations.
- iteration 750: trace = 2.449293261696383 (4.09839e-07% change)
- linmin: converged after 5 iterations.
- iteration 751: trace = 2.449293252047075 (3.93963e-07% change)
- linmin: converged after 12 iterations.
- iteration 752: trace = 2.449293248615245 (1.40115e-07% change)
- large trace change predicted (4.7991e-07%)
- linmin: converged after 6 iterations.
- iteration 753: trace = 2.449293236860091 (4.79941e-07% change)
- linmin: converged after 4 iterations.
- iteration 754: trace = 2.449293230246521 (2.7002e-07% change)
- linmin: converged after 4 iterations.
- iteration 755: trace = 2.449293227426234 (1.15147e-07% change)
- linmin: converged after 4 iterations.
- iteration 756: trace = 2.449293222690805 (1.93339e-07% change)
- linmin: converged after 4 iterations.
- iteration 757: trace = 2.449293217515391 (2.11302e-07% change)
- linmin: converged after 24 iterations.
- iteration 758: trace = 2.449293216083568 (5.84586e-08% change)
- large trace change predicted (2.31159e-07%)
- linmin: converged after 7 iterations.
- iteration 759: trace = 2.449293210421688 (2.31164e-07% change)
- linmin: converged after 4 iterations.
- iteration 760: trace = 2.449293208256873 (8.83853e-08% change)
- linmin: converged after 6 iterations.
- iteration 761: trace = 2.449293205565157 (1.09898e-07% change)
- large trace change predicted (3.25563e-07%)
- linmin: converged after 10 iterations.
- iteration 762: trace = 2.449293197591006 (3.25569e-07% change)
- linmin: converged after 4 iterations.
- iteration 763: trace = 2.449293194292462 (1.34673e-07% change)
- large trace change predicted (3.36803e-07%)
- linmin: converged after 4 iterations.
- iteration 764: trace = 2.449293186043188 (3.36802e-07% change)
- linmin: converged after 7 iterations.
- iteration 765: trace = 2.449293178634246 (3.02493e-07% change)
- linmin: converged after 7 iterations.
- iteration 766: trace = 2.449293171716965 (2.8242e-07% change)
- linmin: converged after 4 iterations.
- iteration 767: trace = 2.449293166292309 (2.21478e-07% change)
- linmin: converged after 4 iterations.
- iteration 768: trace = 2.449293155738745 (4.30882e-07% change)
- large trace change predicted (3.21908e-06%)
- linmin: converged after 4 iterations.
- iteration 769: trace = 2.449293076889345 (3.21927e-06% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 770: trace = 2.449293050944771 (1.05927e-06% change)
- linmin: converged after 2 iterations.
- iteration 771: trace = 2.449293028044838 (9.34961e-07% change)
- linmin: converged after 2 iterations.
- iteration 772: trace = 2.449293016110505 (4.87256e-07% change)
- linmin: converged after 15 iterations.
- iteration 773: trace = 2.449293013072651 (1.2403e-07% change)
- large trace change predicted (3.54214e-07%)
- linmin: converged after 4 iterations.
- iteration 774: trace = 2.44929300439681 (3.54218e-07% change)
- linmin: converged after 4 iterations.
- iteration 775: trace = 2.449293002083938 (9.44302e-08% change)
- linmin: converged after 3 iterations.
- iteration 776: trace = 2.449292999655202 (9.91607e-08% change)
- linmin: converged after 8 iterations.
- iteration 777: trace = 2.449292995709639 (1.6109e-07% change)
- linmin: converged after 7 iterations.
- iteration 778: trace = 2.449292993842816 (7.62189e-08% change)
- linmin: converged after 4 iterations.
- iteration 779: trace = 2.449292990190584 (1.49114e-07% change)
- linmin: converged after 6 iterations.
- iteration 780: trace = 2.44929298653819 (1.4912e-07% change)
- linmin: converged after 17 iterations.
- iteration 781: trace = 2.44929298559593 (3.84707e-08% change)
- linmin: converged after 8 iterations.
- iteration 782: trace = 2.449292984279377 (5.37524e-08% change)
- linmin: converged after 4 iterations.
- iteration 783: trace = 2.449292982473056 (7.37487e-08% change)
- linmin: converged after 4 iterations.
- iteration 784: trace = 2.449292981266213 (4.92731e-08% change)
- linmin: converged after 7 iterations.
- iteration 785: trace = 2.449292978945507 (9.47501e-08% change)
- linmin: converged after 4 iterations.
- iteration 786: trace = 2.449292975044584 (1.59267e-07% change)
- linmin: converged after 4 iterations.
- iteration 787: trace = 2.449292973549084 (6.10584e-08% change)
- linmin: converged after 7 iterations.
- iteration 788: trace = 2.449292971104859 (9.97931e-08% change)
- linmin: converged after 4 iterations.
- iteration 789: trace = 2.449292967183476 (1.60103e-07% change)
- linmin: converged after 4 iterations.
- iteration 790: trace = 2.449292965303232 (7.67668e-08% change)
- large trace change predicted (1.98171e-07%)
- linmin: converged after 6 iterations.
- iteration 791: trace = 2.449292960449499 (1.98169e-07% change)
- linmin: converged after 8 iterations.
- iteration 792: trace = 2.4492929565545 (1.59025e-07% change)
- linmin: converged after 4 iterations.
- iteration 793: trace = 2.449292954187952 (9.66217e-08% change)
- linmin: converged after 7 iterations.
- iteration 794: trace = 2.449292952501317 (6.88621e-08% change)
- large trace change predicted (1.50297e-07%)
- linmin: converged after 6 iterations.
- iteration 795: trace = 2.449292948820074 (1.50298e-07% change)
- linmin: converged after 6 iterations.
- iteration 796: trace = 2.449292946578884 (9.15035e-08% change)
- linmin: converged after 6 iterations.
- iteration 797: trace = 2.4492929440756 (1.02204e-07% change)
- linmin: converged after 6 iterations.
- iteration 798: trace = 2.44929294184444 (9.1094e-08% change)
- linmin: converged after 4 iterations.
- iteration 799: trace = 2.449292939411533 (9.9331e-08% change)
- linmin: converged after 6 iterations.
- iteration 800: trace = 2.449292938905594 (2.06565e-08% change)
- large trace change predicted (6.53231e-08%)
- linmin: converged after 7 iterations.
- iteration 801: trace = 2.449292937305603 (6.53246e-08% change)
- linmin: converged after 3 iterations.
- iteration 802: trace = 2.449292936225631 (4.40932e-08% change)
- linmin: converged after 6 iterations.
- iteration 803: trace = 2.449292935795456 (1.75632e-08% change)
- large trace change predicted (5.78056e-08%)
- linmin: converged after 5 iterations.
- iteration 804: trace = 2.449292934379625 (5.78057e-08% change)
- linmin: converged after 4 iterations.
- iteration 805: trace = 2.44929293196233 (9.86936e-08% change)
- linmin: converged after 3 iterations.
- iteration 806: trace = 2.449292930871808 (4.45239e-08% change)
- linmin: converged after 4 iterations.
- iteration 807: trace = 2.449292929025036 (7.54002e-08% change)
- linmin: converged after 4 iterations.
- iteration 808: trace = 2.449292926416139 (1.06516e-07% change)
- linmin: converged after 15 iterations.
- iteration 809: trace = 2.449292925160456 (5.12671e-08% change)
- linmin: converged after 4 iterations.
- iteration 810: trace = 2.449292923510468 (6.73659e-08% change)
- linmin: converged after 7 iterations.
- iteration 811: trace = 2.449292921055966 (1.00213e-07% change)
- linmin: converged after 4 iterations.
- iteration 812: trace = 2.44929292054098 (2.10259e-08% change)
- large trace change predicted (8.54323e-08%)
- linmin: converged after 12 iterations.
- iteration 813: trace = 2.449292918448503 (8.54319e-08% change)
- linmin: converged after 4 iterations.
- iteration 814: trace = 2.449292916791608 (6.76479e-08% change)
- linmin: converged after 11 iterations.
- iteration 815: trace = 2.449292916082057 (2.89696e-08% change)
- large trace change predicted (1.1322e-07%)
- linmin: converged after 4 iterations.
- iteration 816: trace = 2.449292913308978 (1.1322e-07% change)
- linmin: converged after 7 iterations.
- iteration 817: trace = 2.449292910912646 (9.78377e-08% change)
- linmin: converged after 5 iterations.
- iteration 818: trace = 2.449292910358037 (2.26436e-08% change)
- linmin: converged after 4 iterations.
- iteration 819: trace = 2.449292909287076 (4.37253e-08% change)
- linmin: converged after 7 iterations.
- iteration 820: trace = 2.449292907754324 (6.25793e-08% change)
- linmin: converged after 4 iterations.
- iteration 821: trace = 2.44929290726912 (1.981e-08% change)
- large trace change predicted (6.32519e-08%)
- linmin: converged after 24 iterations.
- iteration 822: trace = 2.449292905719897 (6.32518e-08% change)
- linmin: converged after 4 iterations.
- iteration 823: trace = 2.449292904359893 (5.55264e-08% change)
- linmin: converged after 13 iterations.
- iteration 824: trace = 2.44929290315872 (4.90416e-08% change)
- linmin: converged after 4 iterations.
- iteration 825: trace = 2.449292902439177 (2.93775e-08% change)
- large trace change predicted (7.29904e-08%)
- linmin: converged after 4 iterations.
- iteration 826: trace = 2.449292900651435 (7.29901e-08% change)
- linmin: converged after 4 iterations.
- iteration 827: trace = 2.449292899871154 (3.18574e-08% change)
- large trace change predicted (7.14704e-08%)
- linmin: converged after 6 iterations.
- iteration 828: trace = 2.449292898120633 (7.14704e-08% change)
- linmin: converged after 4 iterations.
- iteration 829: trace = 2.44929289644922 (6.82407e-08% change)
- linmin: converged after 17 iterations.
- iteration 830: trace = 2.449292895568439 (3.59606e-08% change)
- linmin: converged after 4 iterations.
- iteration 831: trace = 2.449292894770636 (3.25728e-08% change)
- large trace change predicted (6.70632e-08%)
- linmin: converged after 4 iterations.
- iteration 832: trace = 2.449292893128064 (6.70631e-08% change)
- linmin: converged after 4 iterations.
- iteration 833: trace = 2.449292892711513 (1.7007e-08% change)
- large trace change predicted (4.89608e-08%)
- linmin: converged after 5 iterations.
- iteration 834: trace = 2.449292891512315 (4.8961e-08% change)
- linmin: converged after 12 iterations.
- iteration 835: trace = 2.449292890071998 (5.88054e-08% change)
- linmin: converged after 4 iterations.
- iteration 836: trace = 2.449292888707991 (5.56899e-08% change)
- linmin: converged after 10 iterations.
- iteration 837: trace = 2.449292888072222 (2.59572e-08% change)
- linmin: converged after 3 iterations.
- iteration 838: trace = 2.449292887317911 (3.07971e-08% change)
- linmin: converged after 4 iterations.
- iteration 839: trace = 2.449292886820534 (2.0307e-08% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 840: trace = 2.449292886663034 (6.43042e-09% change)
- large trace change predicted (1.2912e-08%)
- linmin: converged after 4 iterations.
- iteration 841: trace = 2.449292886346788 (1.29117e-08% change)
- linmin: converged after 21 iterations.
- iteration 842: trace = 2.449292885792505 (2.26303e-08% change)
- linmin: converged after 4 iterations.
- iteration 843: trace = 2.449292885533664 (1.0568e-08% change)
- large trace change predicted (6.39695e-08%)
- linmin: converged after 4 iterations.
- iteration 844: trace = 2.449292883966869 (6.39693e-08% change)
- linmin: converged after 4 iterations.
- iteration 845: trace = 2.449292882776127 (4.86158e-08% change)
- linmin: converged after 4 iterations.
- iteration 846: trace = 2.44929288219734 (2.36308e-08% change)
- linmin: converged after 4 iterations.
- iteration 847: trace = 2.449292881068467 (4.60898e-08% change)
- linmin: converged after 4 iterations.
- iteration 848: trace = 2.449292880030361 (4.23839e-08% change)
- linmin: converged after 4 iterations.
- iteration 849: trace = 2.449292879581204 (1.83382e-08% change)
- large trace change predicted (4.97834e-08%)
- linmin: converged after 4 iterations.
- iteration 850: trace = 2.449292878361861 (4.97835e-08% change)
- linmin: converged after 13 iterations.
- iteration 851: trace = 2.449292877674381 (2.80685e-08% change)
- linmin: converged after 3 iterations.
- iteration 852: trace = 2.449292876599154 (4.38995e-08% change)
- linmin: converged after 12 iterations.
- iteration 853: trace = 2.449292874813741 (7.2895e-08% change)
- linmin: converged after 6 iterations.
- iteration 854: trace = 2.449292873984671 (3.38494e-08% change)
- linmin: converged after 4 iterations.
- iteration 855: trace = 2.449292873210549 (3.16059e-08% change)
- linmin: converged after 22 iterations.
- iteration 856: trace = 2.449292871961519 (5.09955e-08% change)
- linmin: converged after 5 iterations.
- iteration 857: trace = 2.449292870939143 (4.17417e-08% change)
- linmin: converged after 4 iterations.
- iteration 858: trace = 2.449292870574498 (1.48878e-08% change)
- large trace change predicted (4.03523e-08%)
- linmin: converged after 7 iterations.
- iteration 859: trace = 2.449292869586152 (4.03523e-08% change)
- linmin: converged after 14 iterations.
- iteration 860: trace = 2.449292868747079 (3.42578e-08% change)
- linmin: converged after 10 iterations.
- iteration 861: trace = 2.44929286836814 (1.54714e-08% change)
- linmin: converged after 4 iterations.
- iteration 862: trace = 2.44929286761192 (3.0875e-08% change)
- linmin: converged after 4 iterations.
- iteration 863: trace = 2.449292866153526 (5.95435e-08% change)
- linmin: converged after 4 iterations.
- iteration 864: trace = 2.449292865752945 (1.6355e-08% change)
- large trace change predicted (8.29358e-08%)
- linmin: converged after 4 iterations.
- iteration 865: trace = 2.44929286372159 (8.29364e-08% change)
- linmin: converged after 4 iterations.
- iteration 866: trace = 2.449292862322135 (5.71371e-08% change)
- linmin: converged after 10 iterations.
- iteration 867: trace = 2.449292861850314 (1.92636e-08% change)
- linmin: converged after 3 iterations.
- iteration 868: trace = 2.449292860966873 (3.60693e-08% change)
- linmin: converged after 4 iterations.
- iteration 869: trace = 2.449292859552119 (5.77617e-08% change)
- linmin: converged after 4 iterations.
- iteration 870: trace = 2.449292859154904 (1.62175e-08% change)
- large trace change predicted (4.8918e-08%)
- linmin: converged after 10 iterations.
- iteration 871: trace = 2.449292857956749 (4.89184e-08% change)
- linmin: converged after 2 iterations.
- iteration 872: trace = 2.449292856382815 (6.42607e-08% change)
- linmin: converged after 9 iterations.
- iteration 873: trace = 2.449292855380105 (4.09388e-08% change)
- linmin: converged after 4 iterations.
- iteration 874: trace = 2.449292854638 (3.02987e-08% change)
- linmin: converged after 4 iterations.
- iteration 875: trace = 2.449292853422763 (4.96158e-08% change)
- linmin: converged after 5 iterations.
- iteration 876: trace = 2.449292852498708 (3.77274e-08% change)
- linmin: converged after 14 iterations.
- iteration 877: trace = 2.44929285225404 (9.98934e-09% change)
- linmin: converged after 3 iterations.
- iteration 878: trace = 2.449292851784123 (1.91858e-08% change)
- linmin: converged after 4 iterations.
- iteration 879: trace = 2.449292851010172 (3.15989e-08% change)
- linmin: converged after 4 iterations.
- iteration 880: trace = 2.449292850751648 (1.05551e-08% change)
- large trace change predicted (4.84129e-08%)
- linmin: converged after 8 iterations.
- iteration 881: trace = 2.449292849565906 (4.84116e-08% change)
- linmin: converged after 5 iterations.
- iteration 882: trace = 2.449292848174789 (5.67967e-08% change)
- linmin: converged after 18 iterations.
- iteration 883: trace = 2.44929284758822 (2.39485e-08% change)
- large trace change predicted (5.19972e-08%)
- linmin: converged after 12 iterations.
- iteration 884: trace = 2.449292846314686 (5.1996e-08% change)
- linmin: converged after 5 iterations.
- iteration 885: trace = 2.449292844211046 (8.58876e-08% change)
- linmin: converged after 4 iterations.
- iteration 886: trace = 2.449292843787505 (1.72924e-08% change)
- large trace change predicted (5.4608e-08%)
- linmin: converged after 10 iterations.
- iteration 887: trace = 2.449292842449995 (5.4608e-08% change)
- linmin: converged after 5 iterations.
- iteration 888: trace = 2.449292840974808 (6.02291e-08% change)
- linmin: converged after 6 iterations.
- iteration 889: trace = 2.449292840239777 (3.00099e-08% change)
- large trace change predicted (8.99008e-08%)
- linmin: converged after 7 iterations.
- iteration 890: trace = 2.449292838037817 (8.99019e-08% change)
- linmin: converged after 11 iterations.
- iteration 891: trace = 2.449292836459192 (6.44523e-08% change)
- linmin: converged after 5 iterations.
- iteration 892: trace = 2.449292836045462 (1.68918e-08% change)
- large trace change predicted (5.18763e-08%)
- linmin: converged after 41 iterations.
- iteration 893: trace = 2.449292834774843 (5.1877e-08% change)
- linmin: converged after 12 iterations.
- iteration 894: trace = 2.449292833546775 (5.01397e-08% change)
- linmin: converged after 4 iterations.
- iteration 895: trace = 2.449292833176676 (1.51104e-08% change)
- large trace change predicted (3.96536e-08%)
- linmin: converged after 6 iterations.
- iteration 896: trace = 2.449292832205436 (3.96539e-08% change)
- linmin: converged after 3 iterations.
- iteration 897: trace = 2.449292831623656 (2.3753e-08% change)
- linmin: converged after 3 iterations.
- iteration 898: trace = 2.449292831317547 (1.24978e-08% change)
- linmin: converged after 4 iterations.
- iteration 899: trace = 2.449292830721409 (2.43392e-08% change)
- linmin: converged after 2 iterations.
- iteration 900: trace = 2.449292829813082 (3.70853e-08% change)
- linmin: converged after 7 iterations.
- iteration 901: trace = 2.449292829246363 (2.31381e-08% change)
- large trace change predicted (4.93449e-08%)
- linmin: converged after 4 iterations.
- iteration 902: trace = 2.449292828037762 (4.93449e-08% change)
- linmin: converged after 4 iterations.
- iteration 903: trace = 2.449292826549731 (6.07535e-08% change)
- linmin: converged after 4 iterations.
- iteration 904: trace = 2.449292826112185 (1.78642e-08% change)
- linmin: converged after 4 iterations.
- iteration 905: trace = 2.449292825291375 (3.35121e-08% change)
- large trace change predicted (8.60286e-08%)
- linmin: converged after 4 iterations.
- iteration 906: trace = 2.449292823184289 (8.60283e-08% change)
- linmin: converged after 14 iterations.
- iteration 907: trace = 2.449292822541658 (2.62374e-08% change)
- large trace change predicted (1.33293e-07%)
- linmin: converged after 4 iterations.
- iteration 908: trace = 2.449292819276921 (1.33293e-07% change)
- linmin: converged after 16 iterations.
- iteration 909: trace = 2.449292814908259 (1.78364e-07% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 910: trace = 2.449292812393064 (1.02691e-07% change)
- linmin: converged after 4 iterations.
- iteration 911: trace = 2.449292810570963 (7.43929e-08% change)
- linmin: converged after 4 iterations.
- iteration 912: trace = 2.449292808084921 (1.015e-07% change)
- linmin: converged after 3 iterations.
- iteration 913: trace = 2.449292806858005 (5.00927e-08% change)
- linmin: converged after 7 iterations.
- iteration 914: trace = 2.449292806344212 (2.09772e-08% change)
- linmin: converged after 2 iterations.
- iteration 915: trace = 2.449292805675946 (2.7284e-08% change)
- linmin: converged after 8 iterations.
- iteration 916: trace = 2.449292805068025 (2.48203e-08% change)
- linmin: converged after 2 iterations.
- iteration 917: trace = 2.449292804596136 (1.92664e-08% change)
- large trace change predicted (4.07602e-08%)
- linmin: converged after 4 iterations.
- iteration 918: trace = 2.449292803597798 (4.07602e-08% change)
- linmin: converged after 20 iterations.
- iteration 919: trace = 2.449292803399901 (8.07975e-09% change)
- large trace change predicted (1.9408e-08%)
- linmin: converged after 4 iterations.
- iteration 920: trace = 2.449292802924537 (1.94082e-08% change)
- linmin: converged after 4 iterations.
- iteration 921: trace = 2.449292802465405 (1.87455e-08% change)
- linmin: converged after 24 iterations.
- iteration 922: trace = 2.449292802340246 (5.10997e-09% change)
- large trace change predicted (1.44896e-08%)
- linmin: converged after 5 iterations.
- iteration 923: trace = 2.449292801985368 (1.4489e-08% change)
- linmin: converged after 4 iterations.
- iteration 924: trace = 2.449292801428902 (2.27195e-08% change)
- linmin: converged after 4 iterations.
- iteration 925: trace = 2.449292801204366 (9.16738e-09% change)
- large trace change predicted (3.11662e-08%)
- linmin: converged after 5 iterations.
- iteration 926: trace = 2.449292800441025 (3.11658e-08% change)
- linmin: converged after 4 iterations.
- iteration 927: trace = 2.449292799791718 (2.651e-08% change)
- linmin: converged after 3 iterations.
- iteration 928: trace = 2.449292799491786 (1.22457e-08% change)
- large trace change predicted (2.89188e-08%)
- linmin: converged after 6 iterations.
- iteration 929: trace = 2.449292798783482 (2.89187e-08% change)
- linmin: converged after 4 iterations.
- iteration 930: trace = 2.449292797840208 (3.85121e-08% change)
- linmin: converged after 9 iterations.
- iteration 931: trace = 2.449292797400267 (1.7962e-08% change)
- linmin: converged after 4 iterations.
- iteration 932: trace = 2.449292796885245 (2.10273e-08% change)
- linmin: converged after 4 iterations.
- iteration 933: trace = 2.449292796132202 (3.07453e-08% change)
- linmin: converged after 2 iterations.
- iteration 934: trace = 2.449292795931357 (8.20013e-09% change)
- large trace change predicted (3.19787e-08%)
- linmin: converged after 9 iterations.
- iteration 935: trace = 2.44929279514811 (3.19785e-08% change)
- linmin: converged after 7 iterations.
- iteration 936: trace = 2.449292794493852 (2.67121e-08% change)
- linmin: converged after 4 iterations.
- iteration 937: trace = 2.449292794030775 (1.89065e-08% change)
- linmin: converged after 4 iterations.
- iteration 938: trace = 2.44929279386145 (6.91324e-09% change)
- large trace change predicted (2.03651e-08%)
- linmin: converged after 6 iterations.
- iteration 939: trace = 2.449292793362641 (2.03654e-08% change)
- linmin: converged after 2 iterations.
- iteration 940: trace = 2.449292793128961 (9.5407e-09% change)
- linmin: converged after 4 iterations.
- iteration 941: trace = 2.449292792997828 (5.35391e-09% change)
- linmin: converged after 3 iterations.
- iteration 942: trace = 2.449292792763263 (9.57684e-09% change)
- linmin: converged after 4 iterations.
- iteration 943: trace = 2.44929279237176 (1.59843e-08% change)
- linmin: converged after 4 iterations.
- iteration 944: trace = 2.449292792190978 (7.38103e-09% change)
- large trace change predicted (1.71223e-08%)
- linmin: converged after 6 iterations.
- iteration 945: trace = 2.449292791771602 (1.71223e-08% change)
- linmin: converged after 6 iterations.
- iteration 946: trace = 2.449292791299036 (1.9294e-08% change)
- linmin: converged after 4 iterations.
- iteration 947: trace = 2.449292791119835 (7.31644e-09% change)
- large trace change predicted (2.17749e-08%)
- linmin: converged after 3 iterations.
- iteration 948: trace = 2.449292790586502 (2.1775e-08% change)
- linmin: converged after 4 iterations.
- iteration 949: trace = 2.449292790121263 (1.89948e-08% change)
- linmin: converged after 2 iterations.
- iteration 950: trace = 2.449292789926099 (7.96815e-09% change)
- linmin: converged after 8 iterations.
- iteration 951: trace = 2.449292789538755 (1.58145e-08% change)
- linmin: converged after 10 iterations.
- iteration 952: trace = 2.449292789140467 (1.62614e-08% change)
- linmin: converged after 6 iterations.
- iteration 953: trace = 2.449292788976283 (6.70331e-09% change)
- linmin: converged after 22 iterations.
- iteration 954: trace = 2.449292788681762 (1.20247e-08% change)
- large trace change predicted (2.62115e-08%)
- linmin: converged after 4 iterations.
- iteration 955: trace = 2.449292788039787 (2.62106e-08% change)
- linmin: converged after 6 iterations.
- iteration 956: trace = 2.449292787913581 (5.15276e-09% change)
- large trace change predicted (1.67446e-08%)
- linmin: converged after 4 iterations.
- iteration 957: trace = 2.449292787503457 (1.67446e-08% change)
- linmin: converged after 4 iterations.
- iteration 958: trace = 2.449292787290118 (8.71022e-09% change)
- linmin: converged after 4 iterations.
- iteration 959: trace = 2.449292787196471 (3.82344e-09% change)
- large trace change predicted (9.18532e-09%)
- linmin: converged after 5 iterations.
- iteration 960: trace = 2.449292786971499 (9.18517e-09% change)
- linmin: converged after 4 iterations.
- iteration 961: trace = 2.449292786682367 (1.18047e-08% change)
- linmin: converged after 4 iterations.
- iteration 962: trace = 2.449292786570358 (4.57312e-09% change)
- large trace change predicted (1.07073e-08%)
- linmin: converged after 4 iterations.
- iteration 963: trace = 2.449292786308102 (1.07074e-08% change)
- linmin: converged after 4 iterations.
- iteration 964: trace = 2.449292786049144 (1.05728e-08% change)
- linmin: converged after 4 iterations.
- iteration 965: trace = 2.449292785911144 (5.63427e-09% change)
- large trace change predicted (1.4625e-08%)
- linmin: converged after 17 iterations.
- iteration 966: trace = 2.449292785552943 (1.46247e-08% change)
- linmin: converged after 4 iterations.
- iteration 967: trace = 2.449292785055311 (2.03174e-08% change)
- linmin: converged after 5 iterations.
- iteration 968: trace = 2.449292784832112 (9.11282e-09% change)
- linmin: converged after 4 iterations.
- iteration 969: trace = 2.44929278463757 (7.94275e-09% change)
- linmin: converged after 4 iterations.
- iteration 970: trace = 2.449292784386425 (1.02538e-08% change)
- linmin: converged after 5 iterations.
- iteration 971: trace = 2.449292784060509 (1.33066e-08% change)
- linmin: converged after 6 iterations.
- iteration 972: trace = 2.449292783980661 (3.26003e-09% change)
- large trace change predicted (1.10923e-08%)
- linmin: converged after 18 iterations.
- iteration 973: trace = 2.449292783708979 (1.10923e-08% change)
- linmin: converged after 13 iterations.
- iteration 974: trace = 2.44929278345733 (1.02743e-08% change)
- linmin: converged after 4 iterations.
- iteration 975: trace = 2.449292783338016 (4.87138e-09% change)
- large trace change predicted (1.2259e-08%)
- linmin: converged after 4 iterations.
- iteration 976: trace = 2.449292783037754 (1.22591e-08% change)
- linmin: converged after 20 iterations.
- iteration 977: trace = 2.449292782924272 (4.63326e-09% change)
- linmin: converged after 5 iterations.
- iteration 978: trace = 2.449292782877337 (1.91626e-09% change)
- linmin: converged after 4 iterations.
- iteration 979: trace = 2.449292782801074 (3.11367e-09% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 980: trace = 2.449292782736586 (2.63292e-09% change)
- linmin: converged after 4 iterations.
- iteration 981: trace = 2.449292782706129 (1.24352e-09% change)
- large trace change predicted (4.40222e-09%)
- linmin: converged after 5 iterations.
- iteration 982: trace = 2.449292782598297 (4.40258e-09% change)
- linmin: converged after 15 iterations.
- iteration 983: trace = 2.449292782386536 (8.64581e-09% change)
- linmin: converged after 5 iterations.
- iteration 984: trace = 2.449292782280218 (4.34075e-09% change)
- large trace change predicted (1.06397e-08%)
- linmin: converged after 4 iterations.
- iteration 985: trace = 2.44929278201962 (1.06398e-08% change)
- linmin: converged after 22 iterations.
- iteration 986: trace = 2.449292781781561 (9.71948e-09% change)
- linmin: converged after 17 iterations.
- iteration 987: trace = 2.44929278169817 (3.40468e-09% change)
- large trace change predicted (1.20999e-08%)
- linmin: converged after 4 iterations.
- iteration 988: trace = 2.449292781401811 (1.20998e-08% change)
- linmin: converged after 4 iterations.
- iteration 989: trace = 2.449292781260783 (5.75789e-09% change)
- linmin: converged after 15 iterations.
- iteration 990: trace = 2.449292781153036 (4.39911e-09% change)
- large trace change predicted (1.05717e-08%)
- linmin: converged after 4 iterations.
- iteration 991: trace = 2.449292780894103 (1.05718e-08% change)
- linmin: converged after 4 iterations.
- iteration 992: trace = 2.449292780607391 (1.17059e-08% change)
- linmin: converged after 9 iterations.
- iteration 993: trace = 2.449292780455747 (6.19132e-09% change)
- linmin: converged after 4 iterations.
- iteration 994: trace = 2.449292780160332 (1.20613e-08% change)
- linmin: converged after 4 iterations.
- iteration 995: trace = 2.449292779996815 (6.67606e-09% change)
- linmin: converged after 8 iterations.
- iteration 996: trace = 2.449292779835605 (6.58192e-09% change)
- linmin: converged after 5 iterations.
- iteration 997: trace = 2.449292779615555 (8.98423e-09% change)
- linmin: converged after 4 iterations.
- iteration 998: trace = 2.449292779407375 (8.49957e-09% change)
- linmin: converged after 4 iterations.
- iteration 999: trace = 2.449292779348755 (2.39337e-09% change)
- large trace change predicted (7.53794e-09%)
- linmin: converged after 5 iterations.
- iteration 1000: trace = 2.449292779164133 (7.53775e-09% change)
- linmin: converged after 4 iterations.
- iteration 1001: trace = 2.449292779034311 (5.3004e-09% change)
- linmin: converged after 3 iterations.
- iteration 1002: trace = 2.449292778951312 (3.38869e-09% change)
- large trace change predicted (1.29179e-08%)
- linmin: converged after 9 iterations.
- iteration 1003: trace = 2.449292778634904 (1.29183e-08% change)
- linmin: converged after 2 iterations.
- iteration 1004: trace = 2.449292778249367 (1.57407e-08% change)
- linmin: converged after 9 iterations.
- iteration 1005: trace = 2.449292778178586 (2.88988e-09% change)
- large trace change predicted (9.92933e-09%)
- linmin: converged after 4 iterations.
- iteration 1006: trace = 2.449292777935386 (9.92938e-09% change)
- linmin: converged after 5 iterations.
- iteration 1007: trace = 2.449292777673786 (1.06807e-08% change)
- linmin: converged after 3 iterations.
- iteration 1008: trace = 2.449292777479335 (7.93905e-09% change)
- linmin: converged after 7 iterations.
- iteration 1009: trace = 2.449292777311001 (6.87275e-09% change)
- linmin: converged after 11 iterations.
- iteration 1010: trace = 2.449292777087547 (9.12321e-09% change)
- linmin: converged after 7 iterations.
- iteration 1011: trace = 2.449292776924163 (6.67066e-09% change)
- linmin: converged after 7 iterations.
- iteration 1012: trace = 2.449292776731667 (7.85924e-09% change)
- linmin: converged after 7 iterations.
- iteration 1013: trace = 2.449292776449633 (1.15149e-08% change)
- linmin: converged after 5 iterations.
- iteration 1014: trace = 2.449292776244336 (8.38188e-09% change)
- linmin: converged after 18 iterations.
- iteration 1015: trace = 2.449292776098047 (5.97273e-09% change)
- linmin: converged after 4 iterations.
- iteration 1016: trace = 2.44929277588989 (8.49862e-09% change)
- linmin: converged after 4 iterations.
- iteration 1017: trace = 2.449292775788705 (4.1312e-09% change)
- linmin: converged after 16 iterations.
- iteration 1018: trace = 2.449292775740269 (1.97755e-09% change)
- large trace change predicted (6.09887e-09%)
- linmin: converged after 4 iterations.
- iteration 1019: trace = 2.449292775590888 (6.09896e-09% change)
- linmin: converged after 6 iterations.
- iteration 1020: trace = 2.449292775459265 (5.37393e-09% change)
- linmin: converged after 4 iterations.
- iteration 1021: trace = 2.449292775319269 (5.71575e-09% change)
- large trace change predicted (1.17394e-08%)
- linmin: converged after 4 iterations.
- iteration 1022: trace = 2.449292775031733 (1.17395e-08% change)
- linmin: converged after 4 iterations.
- iteration 1023: trace = 2.449292774727794 (1.24093e-08% change)
- linmin: converged after 3 iterations.
- iteration 1024: trace = 2.4492927746411 (3.53952e-09% change)
- large trace change predicted (1.7448e-08%)
- linmin: converged after 4 iterations.
- iteration 1025: trace = 2.449292774213753 (1.74478e-08% change)
- linmin: converged after 18 iterations.
- iteration 1026: trace = 2.449292773988128 (9.21187e-09% change)
- linmin: converged after 3 iterations.
- iteration 1027: trace = 2.449292773860159 (5.2247e-09% change)
- large trace change predicted (1.10361e-08%)
- linmin: converged after 5 iterations.
- iteration 1028: trace = 2.449292773589856 (1.1036e-08% change)
- linmin: converged after 12 iterations.
- iteration 1029: trace = 2.449292773127269 (1.88866e-08% change)
- linmin: converged after 7 iterations.
- iteration 1030: trace = 2.449292773046314 (3.30523e-09% change)
- large trace change predicted (1.46883e-08%)
- linmin: converged after 19 iterations.
- iteration 1031: trace = 2.449292772686544 (1.46887e-08% change)
- linmin: converged after 12 iterations.
- iteration 1032: trace = 2.449292772447815 (9.74686e-09% change)
- linmin: converged after 4 iterations.
- iteration 1033: trace = 2.449292772363141 (3.45708e-09% change)
- large trace change predicted (1.02046e-08%)
- linmin: converged after 4 iterations.
- iteration 1034: trace = 2.449292772113195 (1.02048e-08% change)
- linmin: converged after 4 iterations.
- iteration 1035: trace = 2.449292771901972 (8.62384e-09% change)
- linmin: converged after 15 iterations.
- iteration 1036: trace = 2.449292771859989 (1.71412e-09% change)
- large trace change predicted (4.99843e-09%)
- linmin: converged after 4 iterations.
- iteration 1037: trace = 2.449292771737559 (4.99855e-09% change)
- linmin: converged after 11 iterations.
- iteration 1038: trace = 2.449292771574586 (6.65389e-09% change)
- linmin: converged after 4 iterations.
- iteration 1039: trace = 2.449292771444928 (5.29371e-09% change)
- linmin: converged after 17 iterations.
- iteration 1040: trace = 2.449292771376859 (2.77911e-09% change)
- large trace change predicted (1.16963e-08%)
- linmin: converged after 2 iterations.
- iteration 1041: trace = 2.449292771090374 (1.16967e-08% change)
- linmin: converged after 17 iterations.
- iteration 1042: trace = 2.449292770860522 (9.38441e-09% change)
- linmin: converged after 4 iterations.
- iteration 1043: trace = 2.449292770740974 (4.8809e-09% change)
- linmin: converged after 4 iterations.
- iteration 1044: trace = 2.449292770522123 (8.93528e-09% change)
- linmin: converged after 3 iterations.
- iteration 1045: trace = 2.449292770200719 (1.31223e-08% change)
- linmin: converged after 3 iterations.
- iteration 1046: trace = 2.44929277003367 (6.8203e-09% change)
- large trace change predicted (2.04497e-08%)
- linmin: converged after 6 iterations.
- iteration 1047: trace = 2.449292769532792 (2.04499e-08% change)
- linmin: converged after 5 iterations.
- iteration 1048: trace = 2.449292769219966 (1.27721e-08% change)
- linmin: converged after 4 iterations.
- iteration 1049: trace = 2.44929276879008 (1.75514e-08% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 1050: trace = 2.449292768390965 (1.62951e-08% change)
- linmin: converged after 6 iterations.
- iteration 1051: trace = 2.449292768128785 (1.07043e-08% change)
- linmin: converged after 12 iterations.
- iteration 1052: trace = 2.449292767724566 (1.65035e-08% change)
- linmin: converged after 9 iterations.
- iteration 1053: trace = 2.449292767603756 (4.93243e-09% change)
- large trace change predicted (1.02129e-08%)
- linmin: converged after 10 iterations.
- iteration 1054: trace = 2.449292767353613 (1.02129e-08% change)
- linmin: converged after 4 iterations.
- iteration 1055: trace = 2.449292767190382 (6.6644e-09% change)
- linmin: converged after 27 iterations.
- iteration 1056: trace = 2.449292767108253 (3.35317e-09% change)
- linmin: converged after 4 iterations.
- iteration 1057: trace = 2.449292766948267 (6.53192e-09% change)
- linmin: converged after 3 iterations.
- iteration 1058: trace = 2.44929276676254 (7.5829e-09% change)
- linmin: converged after 4 iterations.
- iteration 1059: trace = 2.449292766721548 (1.67361e-09% change)
- large trace change predicted (3.82108e-09%)
- linmin: converged after 3 iterations.
- iteration 1060: trace = 2.44929276662795 (3.82145e-09% change)
- linmin: converged after 3 iterations.
- iteration 1061: trace = 2.449292766522554 (4.30313e-09% change)
- linmin: converged after 6 iterations.
- iteration 1062: trace = 2.449292766486206 (1.48401e-09% change)
- large trace change predicted (3.15479e-09%)
- linmin: converged after 5 iterations.
- iteration 1063: trace = 2.449292766408937 (3.15472e-09% change)
- linmin: converged after 5 iterations.
- iteration 1064: trace = 2.449292766281056 (5.22115e-09% change)
- linmin: converged after 18 iterations.
- iteration 1065: trace = 2.449292766234763 (1.89005e-09% change)
- large trace change predicted (6.12863e-09%)
- linmin: converged after 4 iterations.
- iteration 1066: trace = 2.449292766084668 (6.12813e-09% change)
- linmin: converged after 4 iterations.
- iteration 1067: trace = 2.449292765939092 (5.94356e-09% change)
- linmin: converged after 4 iterations.
- iteration 1068: trace = 2.449292765766888 (7.03078e-09% change)
- linmin: converged after 5 iterations.
- iteration 1069: trace = 2.449292765695915 (2.89769e-09% change)
- large trace change predicted (8.797e-09%)
- linmin: converged after 4 iterations.
- iteration 1070: trace = 2.449292765480459 (8.79665e-09% change)
- linmin: converged after 15 iterations.
- iteration 1071: trace = 2.449292765362018 (4.83571e-09% change)
- linmin: converged after 8 iterations.
- iteration 1072: trace = 2.449292765301362 (2.4765e-09% change)
- large trace change predicted (5.04e-09%)
- linmin: converged after 24 iterations.
- iteration 1073: trace = 2.449292765177919 (5.03993e-09% change)
- linmin: converged after 13 iterations.
- iteration 1074: trace = 2.44929276508768 (3.6843e-09% change)
- linmin: converged after 4 iterations.
- iteration 1075: trace = 2.449292764952729 (5.5098e-09% change)
- linmin: converged after 4 iterations.
- iteration 1076: trace = 2.449292764804856 (6.03735e-09% change)
- linmin: converged after 10 iterations.
- iteration 1077: trace = 2.449292764759179 (1.86492e-09% change)
- linmin: converged after 4 iterations.
- iteration 1078: trace = 2.449292764670067 (3.63829e-09% change)
- linmin: converged after 5 iterations.
- iteration 1079: trace = 2.449292764576132 (3.83516e-09% change)
- linmin: converged after 20 iterations.
- iteration 1080: trace = 2.449292764508781 (2.74985e-09% change)
- linmin: converged after 4 iterations.
- iteration 1081: trace = 2.44929276448999 (7.67173e-10% change)
- large trace change predicted (2.00185e-09%)
- linmin: converged after 4 iterations.
- iteration 1082: trace = 2.449292764440962 (2.00172e-09% change)
- linmin: converged after 3 iterations.
- iteration 1083: trace = 2.449292764352703 (3.60347e-09% change)
- linmin: converged after 6 iterations.
- iteration 1084: trace = 2.449292764319538 (1.35407e-09% change)
- large trace change predicted (4.4461e-09%)
- linmin: converged after 2 iterations.
- iteration 1085: trace = 2.449292764210626 (4.44665e-09% change)
- linmin: converged after 8 iterations.
- iteration 1086: trace = 2.449292764104184 (4.34582e-09% change)
- linmin: converged after 6 iterations.
- iteration 1087: trace = 2.449292764040278 (2.60915e-09% change)
- linmin: converged after 6 iterations.
- iteration 1088: trace = 2.449292763952479 (3.58469e-09% change)
- linmin: converged after 4 iterations.
- iteration 1089: trace = 2.449292763865729 (3.54185e-09% change)
- linmin: converged after 20 iterations.
- iteration 1090: trace = 2.449292763825361 (1.64816e-09% change)
- large trace change predicted (3.82418e-09%)
- linmin: converged after 10 iterations.
- iteration 1091: trace = 2.449292763731694 (3.82424e-09% change)
- linmin: converged after 5 iterations.
- iteration 1092: trace = 2.449292763656467 (3.07137e-09% change)
- linmin: converged after 18 iterations.
- iteration 1093: trace = 2.449292763623592 (1.34223e-09% change)
- large trace change predicted (2.95482e-09%)
- linmin: converged after 9 iterations.
- iteration 1094: trace = 2.449292763551219 (2.95484e-09% change)
- linmin: converged after 14 iterations.
- iteration 1095: trace = 2.44929276342259 (5.25168e-09% change)
- linmin: converged after 3 iterations.
- iteration 1096: trace = 2.449292763402339 (8.26788e-10% change)
- large trace change predicted (3.71481e-09%)
- linmin: converged after 3 iterations.
- iteration 1097: trace = 2.449292763311348 (3.715e-09% change)
- linmin: converged after 3 iterations.
- iteration 1098: trace = 2.449292763266317 (1.83855e-09% change)
- linmin: converged after 13 iterations.
- iteration 1099: trace = 2.44929276323546 (1.25984e-09% change)
- linmin: converged after 9 iterations.
- iteration 1100: trace = 2.449292763202825 (1.33242e-09% change)
- large trace change predicted (2.87019e-09%)
- linmin: converged after 12 iterations.
- iteration 1101: trace = 2.449292763132513 (2.87071e-09% change)
- linmin: converged after 4 iterations.
- iteration 1102: trace = 2.449292763104338 (1.15031e-09% change)
- linmin: converged after 4 iterations.
- iteration 1103: trace = 2.449292763058433 (1.87423e-09% change)
- linmin: converged after 2 iterations.
- iteration 1104: trace = 2.449292762984287 (3.02724e-09% change)
- linmin: converged after 3 iterations.
- iteration 1105: trace = 2.449292762938214 (1.88107e-09% change)
- linmin: converged after 5 iterations.
- iteration 1106: trace = 2.449292762890886 (1.93229e-09% change)
- large trace change predicted (4.35628e-09%)
- linmin: converged after 5 iterations.
- iteration 1107: trace = 2.449292762784181 (4.35659e-09% change)
- linmin: converged after 6 iterations.
- iteration 1108: trace = 2.449292762726238 (2.36568e-09% change)
- linmin: converged after 13 iterations.
- iteration 1109: trace = 2.449292762693443 (1.33894e-09% change)
- linmin: converged after 14 iterations.
- iteration 1110: trace = 2.449292762642759 (2.06933e-09% change)
- linmin: converged after 3 iterations.
- iteration 1111: trace = 2.449292762605331 (1.52813e-09% change)
- linmin: converged after 20 iterations.
- iteration 1112: trace = 2.449292762561192 (1.80213e-09% change)
- linmin: converged after 5 iterations.
- iteration 1113: trace = 2.449292762488975 (2.94846e-09% change)
- linmin: converged after 4 iterations.
- iteration 1114: trace = 2.449292762463506 (1.03987e-09% change)
- large trace change predicted (2.25058e-09%)
- linmin: converged after 4 iterations.
- iteration 1115: trace = 2.449292762408382 (2.25061e-09% change)
- linmin: converged after 4 iterations.
- iteration 1116: trace = 2.449292762349442 (2.40641e-09% change)
- linmin: converged after 6 iterations.
- iteration 1117: trace = 2.449292762320745 (1.17163e-09% change)
- linmin: converged after 4 iterations.
- iteration 1118: trace = 2.449292762312784 (3.25058e-10% change)
- linmin: converged after 6 iterations.
- iteration 1119: trace = 2.449292762302037 (4.3876e-10% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 1120: trace = 2.449292762291865 (4.15316e-10% change)
- linmin: converged after 7 iterations.
- iteration 1121: trace = 2.449292762284672 (2.93691e-10% change)
- large trace change predicted (1.05281e-09%)
- linmin: converged after 5 iterations.
- iteration 1122: trace = 2.449292762258884 (1.05285e-09% change)
- linmin: converged after 5 iterations.
- iteration 1123: trace = 2.449292762239086 (8.08331e-10% change)
- large trace change predicted (1.78475e-09%)
- linmin: converged after 4 iterations.
- iteration 1124: trace = 2.449292762195369 (1.78488e-09% change)
- linmin: converged after 6 iterations.
- iteration 1125: trace = 2.449292762138346 (2.32815e-09% change)
- linmin: converged after 15 iterations.
- iteration 1126: trace = 2.449292762099618 (1.58116e-09% change)
- linmin: converged after 7 iterations.
- iteration 1127: trace = 2.4492927620664 (1.35622e-09% change)
- linmin: converged after 4 iterations.
- iteration 1128: trace = 2.449292762003416 (2.57155e-09% change)
- linmin: converged after 12 iterations.
- iteration 1129: trace = 2.449292761979819 (9.63408e-10% change)
- linmin: converged after 6 iterations.
- iteration 1130: trace = 2.44929276195271 (1.10683e-09% change)
- large trace change predicted (2.50833e-09%)
- linmin: converged after 16 iterations.
- iteration 1131: trace = 2.449292761891278 (2.50812e-09% change)
- linmin: converged after 15 iterations.
- iteration 1132: trace = 2.449292761857699 (1.37098e-09% change)
- linmin: converged after 24 iterations.
- iteration 1133: trace = 2.449292761796992 (2.47857e-09% change)
- linmin: converged after 4 iterations.
- iteration 1134: trace = 2.449292761732873 (2.61785e-09% change)
- linmin: converged after 9 iterations.
- iteration 1135: trace = 2.449292761700014 (1.34155e-09% change)
- linmin: converged after 13 iterations.
- iteration 1136: trace = 2.449292761662959 (1.51288e-09% change)
- linmin: converged after 16 iterations.
- iteration 1137: trace = 2.449292761615074 (1.95506e-09% change)
- linmin: converged after 4 iterations.
- iteration 1138: trace = 2.449292761584487 (1.24879e-09% change)
- linmin: converged after 9 iterations.
- iteration 1139: trace = 2.449292761555222 (1.19485e-09% change)
- linmin: converged after 17 iterations.
- iteration 1140: trace = 2.449292761518958 (1.48059e-09% change)
- linmin: converged after 15 iterations.
- iteration 1141: trace = 2.449292761490439 (1.16436e-09% change)
- linmin: converged after 6 iterations.
- iteration 1142: trace = 2.44929276147636 (5.74817e-10% change)
- large trace change predicted (2.78319e-09%)
- linmin: converged after 18 iterations.
- iteration 1143: trace = 2.44929276140819 (2.78327e-09% change)
- linmin: converged after 16 iterations.
- iteration 1144: trace = 2.449292761345009 (2.57956e-09% change)
- linmin: converged after 4 iterations.
- iteration 1145: trace = 2.44929276131443 (1.2485e-09% change)
- linmin: converged after 4 iterations.
- iteration 1146: trace = 2.449292761266779 (1.94549e-09% change)
- linmin: converged after 4 iterations.
- iteration 1147: trace = 2.449292761203063 (2.60139e-09% change)
- linmin: converged after 10 iterations.
- iteration 1148: trace = 2.449292761177097 (1.06014e-09% change)
- linmin: converged after 11 iterations.
- iteration 1149: trace = 2.449292761128534 (1.98275e-09% change)
- linmin: converged after 3 iterations.
- iteration 1150: trace = 2.449292761081884 (1.90462e-09% change)
- linmin: converged after 8 iterations.
- iteration 1151: trace = 2.449292761013441 (2.7944e-09% change)
- linmin: converged after 4 iterations.
- iteration 1152: trace = 2.449292760995565 (7.2984e-10% change)
- large trace change predicted (2.3726e-09%)
- linmin: converged after 4 iterations.
- iteration 1153: trace = 2.449292760937457 (2.37245e-09% change)
- linmin: converged after 7 iterations.
- iteration 1154: trace = 2.449292760879771 (2.35519e-09% change)
- linmin: converged after 6 iterations.
- iteration 1155: trace = 2.449292760859085 (8.44575e-10% change)
- large trace change predicted (1.70114e-09%)
- linmin: converged after 3 iterations.
- iteration 1156: trace = 2.449292760817419 (1.70117e-09% change)
- linmin: converged after 3 iterations.
- iteration 1157: trace = 2.449292760786551 (1.26027e-09% change)
- linmin: converged after 7 iterations.
- iteration 1158: trace = 2.449292760777601 (3.65419e-10% change)
- large trace change predicted (1.36693e-09%)
- linmin: converged after 20 iterations.
- iteration 1159: trace = 2.449292760744122 (1.36688e-09% change)
- linmin: converged after 4 iterations.
- iteration 1160: trace = 2.449292760698735 (1.85304e-09% change)
- linmin: converged after 18 iterations.
- iteration 1161: trace = 2.449292760682941 (6.44841e-10% change)
- large trace change predicted (2.22976e-09%)
- linmin: converged after 14 iterations.
- iteration 1162: trace = 2.449292760628325 (2.22986e-09% change)
- linmin: converged after 6 iterations.
- iteration 1163: trace = 2.449292760553186 (3.0678e-09% change)
- linmin: converged after 15 iterations.
- iteration 1164: trace = 2.449292760530432 (9.29013e-10% change)
- large trace change predicted (3.35936e-09%)
- linmin: converged after 4 iterations.
- iteration 1165: trace = 2.449292760448156 (3.35917e-09% change)
- linmin: converged after 12 iterations.
- iteration 1166: trace = 2.449292760405035 (1.76053e-09% change)
- linmin: converged after 3 iterations.
- iteration 1167: trace = 2.44929276038233 (9.27018e-10% change)
- large trace change predicted (2.74379e-09%)
- linmin: converged after 2 iterations.
- iteration 1168: trace = 2.449292760315133 (2.74351e-09% change)
- linmin: converged after 5 iterations.
- iteration 1169: trace = 2.449292760232028 (3.39302e-09% change)
- linmin: converged after 13 iterations.
- iteration 1170: trace = 2.449292760210748 (8.68835e-10% change)
- large trace change predicted (3.21979e-09%)
- linmin: converged after 4 iterations.
- iteration 1171: trace = 2.449292760131882 (3.21994e-09% change)
- linmin: converged after 7 iterations.
- iteration 1172: trace = 2.44929276007937 (2.14397e-09% change)
- linmin: converged after 4 iterations.
- iteration 1173: trace = 2.449292760040843 (1.57298e-09% change)
- linmin: converged after 21 iterations.
- iteration 1174: trace = 2.449292760008499 (1.32054e-09% change)
- linmin: converged after 5 iterations.
- iteration 1175: trace = 2.449292759963597 (1.83328e-09% change)
- linmin: converged after 7 iterations.
- iteration 1176: trace = 2.449292759941327 (9.09232e-10% change)
- linmin: converged after 4 iterations.
- iteration 1177: trace = 2.449292759930403 (4.45994e-10% change)
- large trace change predicted (1.26368e-09%)
- linmin: converged after 4 iterations.
- iteration 1178: trace = 2.449292759899457 (1.26346e-09% change)
- linmin: converged after 3 iterations.
- iteration 1179: trace = 2.449292759856346 (1.76015e-09% change)
- linmin: converged after 4 iterations.
- iteration 1180: trace = 2.449292759834289 (9.00547e-10% change)
- large trace change predicted (1.90927e-09%)
- linmin: converged after 15 iterations.
- iteration 1181: trace = 2.44929275978753 (1.90907e-09% change)
- linmin: converged after 5 iterations.
- iteration 1182: trace = 2.449292759740735 (1.91055e-09% change)
- linmin: converged after 13 iterations.
- iteration 1183: trace = 2.449292759716291 (9.98021e-10% change)
- large trace change predicted (2.04248e-09%)
- linmin: converged after 13 iterations.
- iteration 1184: trace = 2.449292759666267 (2.0424e-09% change)
- linmin: converged after 5 iterations.
- iteration 1185: trace = 2.449292759589927 (3.11681e-09% change)
- linmin: converged after 13 iterations.
- iteration 1186: trace = 2.449292759560856 (1.18689e-09% change)
- large trace change predicted (4.22091e-09%)
- linmin: converged after 21 iterations.
- iteration 1187: trace = 2.449292759457477 (4.22079e-09% change)
- linmin: converged after 9 iterations.
- iteration 1188: trace = 2.449292759355255 (4.17352e-09% change)
- linmin: converged after 2 iterations.
- iteration 1189: trace = 2.449292759285013 (2.86783e-09% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 1190: trace = 2.449292759218539 (2.71404e-09% change)
- linmin: converged after 4 iterations.
- iteration 1191: trace = 2.449292759131809 (3.54101e-09% change)
- linmin: converged after 9 iterations.
- iteration 1192: trace = 2.449292759050741 (3.30986e-09% change)
- linmin: converged after 16 iterations.
- iteration 1193: trace = 2.449292759029729 (8.57884e-10% change)
- large trace change predicted (2.32367e-09%)
- linmin: converged after 22 iterations.
- iteration 1194: trace = 2.449292758972808 (2.32396e-09% change)
- linmin: converged after 3 iterations.
- iteration 1195: trace = 2.449292758938468 (1.40204e-09% change)
- linmin: converged after 4 iterations.
- iteration 1196: trace = 2.449292758921942 (6.74739e-10% change)
- large trace change predicted (1.40069e-09%)
- linmin: converged after 14 iterations.
- iteration 1197: trace = 2.449292758887621 (1.40124e-09% change)
- linmin: converged after 7 iterations.
- iteration 1198: trace = 2.449292758857818 (1.21681e-09% change)
- linmin: converged after 12 iterations.
- iteration 1199: trace = 2.449292758842747 (6.15305e-10% change)
- linmin: converged after 6 iterations.
- iteration 1200: trace = 2.44929275881523 (1.12349e-09% change)
- linmin: converged after 13 iterations.
- iteration 1201: trace = 2.449292758799249 (6.52438e-10% change)
- linmin: converged after 3 iterations.
- iteration 1202: trace = 2.449292758789549 (3.96043e-10% change)
- large trace change predicted (7.98141e-10%)
- linmin: converged after 6 iterations.
- iteration 1203: trace = 2.449292758770009 (7.97796e-10% change)
- linmin: converged after 8 iterations.
- iteration 1204: trace = 2.449292758745472 (1.00177e-09% change)
- linmin: converged after 4 iterations.
- iteration 1205: trace = 2.449292758734434 (4.50672e-10% change)
- large trace change predicted (1.46401e-09%)
- linmin: converged after 3 iterations.
- iteration 1206: trace = 2.449292758698573 (1.46414e-09% change)
- linmin: converged after 20 iterations.
- iteration 1207: trace = 2.449292758672931 (1.0469e-09% change)
- linmin: converged after 5 iterations.
- iteration 1208: trace = 2.449292758659811 (5.35672e-10% change)
- large trace change predicted (1.8051e-09%)
- linmin: converged after 4 iterations.
- iteration 1209: trace = 2.449292758615584 (1.80572e-09% change)
- linmin: converged after 4 iterations.
- iteration 1210: trace = 2.449292758578577 (1.51092e-09% change)
- linmin: converged after 3 iterations.
- iteration 1211: trace = 2.449292758562544 (6.54613e-10% change)
- linmin: converged after 4 iterations.
- iteration 1212: trace = 2.449292758539975 (9.21434e-10% change)
- linmin: converged after 9 iterations.
- iteration 1213: trace = 2.449292758509836 (1.23052e-09% change)
- linmin: converged after 4 iterations.
- iteration 1214: trace = 2.449292758496518 (5.43758e-10% change)
- large trace change predicted (1.43e-09%)
- linmin: converged after 19 iterations.
- iteration 1215: trace = 2.449292758461497 (1.42985e-09% change)
- linmin: converged after 2 iterations.
- iteration 1216: trace = 2.449292758430115 (1.28123e-09% change)
- linmin: converged after 4 iterations.
- iteration 1217: trace = 2.449292758407654 (9.17064e-10% change)
- linmin: converged after 12 iterations.
- iteration 1218: trace = 2.449292758400862 (2.773e-10% change)
- large trace change predicted (7.07646e-10%)
- linmin: converged after 14 iterations.
- iteration 1219: trace = 2.449292758383526 (7.07811e-10% change)
- linmin: converged after 7 iterations.
- iteration 1220: trace = 2.449292758371622 (4.85992e-10% change)
- linmin: converged after 15 iterations.
- iteration 1221: trace = 2.449292758365863 (2.35127e-10% change)
- linmin: converged after 7 iterations.
- iteration 1222: trace = 2.449292758355705 (4.14736e-10% change)
- large trace change predicted (8.94645e-10%)
- linmin: converged after 7 iterations.
- iteration 1223: trace = 2.449292758333799 (8.944e-10% change)
- linmin: converged after 4 iterations.
- iteration 1224: trace = 2.449292758328047 (2.34819e-10% change)
- large trace change predicted (1.15853e-09%)
- linmin: converged after 4 iterations.
- iteration 1225: trace = 2.449292758299672 (1.1585e-09% change)
- linmin: converged after 6 iterations.
- iteration 1226: trace = 2.449292758276 (9.6649e-10% change)
- linmin: converged after 3 iterations.
- iteration 1227: trace = 2.449292758261559 (5.89613e-10% change)
- linmin: converged after 5 iterations.
- iteration 1228: trace = 2.449292758244133 (7.11473e-10% change)
- linmin: converged after 9 iterations.
- iteration 1229: trace = 2.44929275822446 (8.032e-10% change)
- linmin: converged after 6 iterations.
- iteration 1230: trace = 2.449292758203113 (8.71536e-10% change)
- linmin: converged after 4 iterations.
- iteration 1231: trace = 2.449292758196083 (2.87019e-10% change)
- large trace change predicted (7.16027e-10%)
- linmin: converged after 2 iterations.
- iteration 1232: trace = 2.449292758178548 (7.15952e-10% change)
- linmin: converged after 4 iterations.
- iteration 1233: trace = 2.449292758161216 (7.07611e-10% change)
- linmin: converged after 12 iterations.
- iteration 1234: trace = 2.449292758156217 (2.04122e-10% change)
- large trace change predicted (1.09127e-09%)
- linmin: converged after 4 iterations.
- iteration 1235: trace = 2.4492927581295 (1.0908e-09% change)
- linmin: converged after 15 iterations.
- iteration 1236: trace = 2.449292758121641 (3.20852e-10% change)
- linmin: converged after 8 iterations.
- iteration 1237: trace = 2.44929275811068 (4.47535e-10% change)
- linmin: converged after 4 iterations.
- iteration 1238: trace = 2.449292758099539 (4.54861e-10% change)
- linmin: converged after 4 iterations.
- iteration 1239: trace = 2.449292758090224 (3.80323e-10% change)
- linmin: converged after 4 iterations.
- iteration 1240: trace = 2.449292758085973 (1.73535e-10% change)
- large trace change predicted (6.28043e-10%)
- linmin: converged after 3 iterations.
- iteration 1241: trace = 2.449292758070583 (6.28377e-10% change)
- linmin: converged after 3 iterations.
- iteration 1242: trace = 2.449292758061384 (3.75572e-10% change)
- linmin: converged after 4 iterations.
- iteration 1243: trace = 2.449292758053819 (3.08867e-10% change)
- large trace change predicted (6.64039e-10%)
- linmin: converged after 13 iterations.
- iteration 1244: trace = 2.449292758037557 (6.63915e-10% change)
- linmin: converged after 3 iterations.
- iteration 1245: trace = 2.449292758021907 (6.38984e-10% change)
- linmin: converged after 9 iterations.
- iteration 1246: trace = 2.449292758016809 (2.08148e-10% change)
- large trace change predicted (8.29566e-10%)
- linmin: converged after 20 iterations.
- iteration 1247: trace = 2.449292757996488 (8.29635e-10% change)
- linmin: converged after 6 iterations.
- iteration 1248: trace = 2.449292757980615 (6.48068e-10% change)
- linmin: converged after 4 iterations.
- iteration 1249: trace = 2.449292757975114 (2.24593e-10% change)
- large trace change predicted (4.63414e-10%)
- linmin: converged after 3 iterations.
- iteration 1250: trace = 2.449292757963765 (4.63382e-10% change)
- linmin: converged after 3 iterations.
- iteration 1251: trace = 2.449292757946643 (6.99071e-10% change)
- linmin: converged after 9 iterations.
- iteration 1252: trace = 2.449292757938912 (3.15612e-10% change)
- linmin: converged after 6 iterations.
- iteration 1253: trace = 2.449292757929192 (3.96858e-10% change)
- linmin: converged after 4 iterations.
- iteration 1254: trace = 2.449292757915849 (5.44756e-10% change)
- linmin: converged after 3 iterations.
- iteration 1255: trace = 2.44929275790202 (5.64646e-10% change)
- linmin: converged after 14 iterations.
- iteration 1256: trace = 2.449292757899889 (8.6976e-11% change)
-Finished solving for bands 1 to 10 after 1256 iterations.
-tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689
-elapsed time for k point: 11.13221549987793
-solve_kpoint (0.5,0.166667,0):
-Solving for bands 1 to 10...
- linmin: converged after 4 iterations.
- iteration 1: trace = 2.515861282295907 (3.43116% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.507854158557765 (0.318773% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.499310810787176 (0.341245% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.498172896819808 (0.0455395% change)
- large trace change predicted (0.100542%)
- linmin: converged after 4 iterations.
- iteration 5: trace = 2.495678808586637 (0.0998864% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 2.495170541910658 (0.0203679% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 2.494660849825565 (0.0204292% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.494389989065191 (0.0108582% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 2.49424031789044 (0.00600049% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.494053119375062 (0.00750551% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.494006769338019 (0.00185844% change)
- large trace change predicted (0.00615564%)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.493853877784837 (0.00613055% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 2.493809312194493 (0.00178703% change)
- large trace change predicted (0.00364815%)
- linmin: converged after 4 iterations.
- iteration 14: trace = 2.493718771889427 (0.00363067% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 2.493653536138433 (0.00261604% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 2.493597422138092 (0.0022503% change)
- large trace change predicted (0.00494512%)
- linmin: converged after 4 iterations.
- iteration 17: trace = 2.493474326430524 (0.00493659% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 2.493424155675116 (0.0020121% change)
- large trace change predicted (0.00492516%)
- linmin: converged after 4 iterations.
- iteration 19: trace = 2.493301749789208 (0.00490927% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 2.4932438532079 (0.00232211% change)
- large trace change predicted (0.00472088%)
- linmin: converged after 4 iterations.
- iteration 21: trace = 2.493126516272597 (0.00470631% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.493032139438212 (0.00378555% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 2.492931229724737 (0.00404775% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 2.49278518304044 (0.0058586% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 2.492694559740675 (0.00363549% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 2.492556551715377 (0.00553665% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 2.492504492963388 (0.00208859% change)
- large trace change predicted (0.00584593%)
- linmin: converged after 6 iterations.
- iteration 28: trace = 2.492359048235266 (0.00583545% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 2.492292310143891 (0.00267774% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 2.49220423763659 (0.00353386% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 2.492122038808602 (0.00329829% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 2.492088459826676 (0.00134741% change)
- large trace change predicted (0.00374958%)
- linmin: converged after 9 iterations.
- iteration 33: trace = 2.491995115671979 (0.00374569% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 2.49197302696545 (0.00088639% change)
- large trace change predicted (0.00384146%)
- linmin: converged after 6 iterations.
- iteration 35: trace = 2.491877397292373 (0.00383758% change)
- linmin: converged after 7 iterations.
- iteration 36: trace = 2.491799684776144 (0.00311868% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 2.491716618910476 (0.00333362% change)
- large trace change predicted (0.00753755%)
- linmin: converged after 6 iterations.
- iteration 38: trace = 2.491529123150958 (0.00752505% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 2.491464407954583 (0.00259744% change)
- large trace change predicted (0.00785134%)
- linmin: converged after 4 iterations.
- iteration 40: trace = 2.491269210816609 (0.00783494% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 2.491195483039992 (0.00295949% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 2.491085228402836 (0.00442587% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 2.491014733898304 (0.00282991% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 2.49096938109741 (0.00182067% change)
- large trace change predicted (0.00538733%)
- linmin: converged after 3 iterations.
- iteration 45: trace = 2.49083487831414 (0.00539976% change)
- linmin: converged after 11 iterations.
- iteration 46: trace = 2.490789473031338 (0.00182291% change)
- large trace change predicted (0.0100848%)
- linmin: converged after 3 iterations.
- iteration 47: trace = 2.490536447013226 (0.010159% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 2.490423729185779 (0.00452595% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 2.490250059019444 (0.00697376% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 2.490020787971507 (0.00920717% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 2.48994903099957 (0.00288182% change)
- large trace change predicted (0.00946139%)
- linmin: converged after 3 iterations.
- iteration 52: trace = 2.489711162739711 (0.00955359% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 2.489658473681335 (0.00211629% change)
- large trace change predicted (0.00434367%)
- linmin: converged after 3 iterations.
- iteration 54: trace = 2.489549877108953 (0.004362% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 2.489470614706369 (0.00318386% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 2.489407058967494 (0.00255301% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 2.48931509135577 (0.00369443% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 2.489272593598083 (0.00170722% change)
- large trace change predicted (0.0035832%)
- linmin: converged after 3 iterations.
- iteration 59: trace = 2.489183254006914 (0.00358905% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 2.489147377124525 (0.00144132% change)
- large trace change predicted (0.00337204%)
- linmin: converged after 4 iterations.
- iteration 61: trace = 2.489063365947722 (0.00337516% change)
- linmin: converged after 5 iterations.
- iteration 62: trace = 2.489014190975116 (0.00197566% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 2.488950715482929 (0.00255026% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 2.488865294803781 (0.00343205% change)
- linmin: converged after 5 iterations.
- iteration 65: trace = 2.488828943610771 (0.00146056% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 2.488763904884916 (0.00261326% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 2.488735810526342 (0.00112885% change)
- large trace change predicted (0.00312848%)
- linmin: converged after 6 iterations.
- iteration 68: trace = 2.48865800111508 (0.00312651% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 2.488603317682105 (0.00219733% change)
- resetting CG direction...
- linmin: converged after 7 iterations.
- iteration 70: trace = 2.488574474557392 (0.00115902% change)
- large trace change predicted (0.00249024%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 2.488512534589992 (0.002489% change)
- linmin: converged after 7 iterations.
- iteration 72: trace = 2.488484799851445 (0.00111452% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 2.488451506537923 (0.0013379% change)
- large trace change predicted (0.0031914%)
- linmin: converged after 5 iterations.
- iteration 74: trace = 2.488372321747332 (0.00318214% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 2.488356731049004 (0.000626544% change)
- large trace change predicted (0.00189925%)
- linmin: converged after 5 iterations.
- iteration 76: trace = 2.488309524135499 (0.00189713% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 2.488271458079891 (0.00152981% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 2.488258000294219 (0.00054085% change)
- large trace change predicted (0.00171372%)
- linmin: converged after 4 iterations.
- iteration 79: trace = 2.48821544026547 (0.00171045% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 2.488166258686811 (0.0019766% change)
- linmin: converged after 12 iterations.
- iteration 81: trace = 2.488145059919184 (0.000851987% change)
- linmin: converged after 15 iterations.
- iteration 82: trace = 2.488106089528181 (0.00156625% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 2.488066336337749 (0.00159774% change)
- linmin: converged after 5 iterations.
- iteration 84: trace = 2.488048633590177 (0.000711509% change)
- large trace change predicted (0.00194513%)
- linmin: converged after 4 iterations.
- iteration 85: trace = 2.488000386622425 (0.00193917% change)
- linmin: converged after 5 iterations.
- iteration 86: trace = 2.487937929549748 (0.00251036% change)
- linmin: converged after 5 iterations.
- iteration 87: trace = 2.487919640950813 (0.000735093% change)
- large trace change predicted (0.00295702%)
- linmin: converged after 3 iterations.
- iteration 88: trace = 2.487846115004988 (0.00295536% change)
- linmin: converged after 4 iterations.
- iteration 89: trace = 2.487797886704479 (0.00193858% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 2.487776306549805 (0.000867444% change)
- large trace change predicted (0.00214995%)
- linmin: converged after 3 iterations.
- iteration 91: trace = 2.487722836395236 (0.00214934% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 2.487710813896149 (0.000483274% change)
- large trace change predicted (0.00124375%)
- linmin: converged after 5 iterations.
- iteration 93: trace = 2.487679883120304 (0.00124335% change)
- linmin: converged after 3 iterations.
- iteration 94: trace = 2.487653043297854 (0.00107892% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 2.487630501282141 (0.00090616% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 2.487599175459664 (0.00125927% change)
- linmin: converged after 3 iterations.
- iteration 97: trace = 2.487540228048141 (0.00236968% change)
- linmin: converged after 12 iterations.
- iteration 98: trace = 2.487521640120572 (0.000747244% change)
- linmin: converged after 4 iterations.
- iteration 99: trace = 2.487493683707828 (0.00112387% change)
- linmin: converged after 5 iterations.
- iteration 100: trace = 2.487462269535424 (0.00126289% change)
- linmin: converged after 3 iterations.
- iteration 101: trace = 2.48745536423858 (0.000277604% change)
- large trace change predicted (0.000931403%)
- linmin: converged after 5 iterations.
- iteration 102: trace = 2.487432233641114 (0.000929894% change)
- linmin: converged after 3 iterations.
- iteration 103: trace = 2.487405032651327 (0.00109354% change)
- linmin: converged after 3 iterations.
- iteration 104: trace = 2.487396818139055 (0.000330245% change)
- large trace change predicted (0.00148261%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 2.487359848334163 (0.0014863% change)
- linmin: converged after 3 iterations.
- iteration 106: trace = 2.487331078568984 (0.00115665% change)
- linmin: converged after 5 iterations.
- iteration 107: trace = 2.487319494981296 (0.000465705% change)
- large trace change predicted (0.00232136%)
- linmin: converged after 6 iterations.
- iteration 108: trace = 2.48726164881472 (0.00232567% change)
- linmin: converged after 3 iterations.
- iteration 109: trace = 2.487237092826722 (0.000987275% change)
- linmin: converged after 3 iterations.
- iteration 110: trace = 2.487206680585687 (0.00122274% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 2.487173038603066 (0.00135261% change)
- linmin: converged after 3 iterations.
- iteration 112: trace = 2.487160558799443 (0.000501768% change)
- linmin: converged after 3 iterations.
- iteration 113: trace = 2.487141960392464 (0.000747779% change)
- linmin: converged after 5 iterations.
- iteration 114: trace = 2.487111565453936 (0.00122209% change)
- linmin: converged after 6 iterations.
- iteration 115: trace = 2.487101729536141 (0.000395476% change)
- large trace change predicted (0.000795578%)
- linmin: converged after 3 iterations.
- iteration 116: trace = 2.487081948065852 (0.000795365% change)
- linmin: converged after 3 iterations.
- iteration 117: trace = 2.4870636905194 (0.000734098% change)
- linmin: converged after 3 iterations.
- iteration 118: trace = 2.487055266003158 (0.000338734% change)
- large trace change predicted (0.00104506%)
- linmin: converged after 3 iterations.
- iteration 119: trace = 2.487029266684226 (0.00104539% change)
- linmin: converged after 4 iterations.
- iteration 120: trace = 2.487007971865747 (0.000856239% change)
- linmin: converged after 4 iterations.
- iteration 121: trace = 2.487000144833851 (0.000314717% change)
- large trace change predicted (0.00098169%)
- linmin: converged after 5 iterations.
- iteration 122: trace = 2.486975730154866 (0.000981697% change)
- linmin: converged after 3 iterations.
- iteration 123: trace = 2.486952827646625 (0.000920902% change)
- linmin: converged after 3 iterations.
- iteration 124: trace = 2.486940045383895 (0.000513974% change)
- large trace change predicted (0.00230676%)
- linmin: converged after 4 iterations.
- iteration 125: trace = 2.486882730702087 (0.00230465% change)
- linmin: converged after 3 iterations.
- iteration 126: trace = 2.486843220613449 (0.00158875% change)
- linmin: converged after 4 iterations.
- iteration 127: trace = 2.486783792724833 (0.00238972% change)
- linmin: converged after 4 iterations.
- iteration 128: trace = 2.486698791892305 (0.00341816% change)
- linmin: converged after 3 iterations.
- iteration 129: trace = 2.486661286309805 (0.00150826% change)
- linmin: converged after 7 iterations.
- iteration 130: trace = 2.486623172913379 (0.00153273% change)
- linmin: converged after 3 iterations.
- iteration 131: trace = 2.486591355088738 (0.00127957% change)
- linmin: converged after 3 iterations.
- iteration 132: trace = 2.486581495915449 (0.000396494% change)
- large trace change predicted (0.000963697%)
- linmin: converged after 4 iterations.
- iteration 133: trace = 2.486557524018012 (0.000964055% change)
- linmin: converged after 3 iterations.
- iteration 134: trace = 2.486535868448634 (0.000870909% change)
- linmin: converged after 3 iterations.
- iteration 135: trace = 2.486525734145124 (0.000407568% change)
- large trace change predicted (0.00132869%)
- linmin: converged after 3 iterations.
- iteration 136: trace = 2.486492672114544 (0.00132966% change)
- linmin: converged after 3 iterations.
- iteration 137: trace = 2.4864684568555 (0.000973877% change)
- linmin: converged after 3 iterations.
- iteration 138: trace = 2.486461344064414 (0.00028606% change)
- large trace change predicted (0.000628476%)
- linmin: converged after 3 iterations.
- iteration 139: trace = 2.486445718478366 (0.000628429% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 140: trace = 2.486440316002184 (0.000217277% change)
- linmin: converged after 3 iterations.
- iteration 141: trace = 2.486436897949191 (0.000137468% change)
- large trace change predicted (0.000494266%)
- linmin: converged after 6 iterations.
- iteration 142: trace = 2.486424619473493 (0.000493819% change)
- linmin: converged after 5 iterations.
- iteration 143: trace = 2.486421621317892 (0.000120581% change)
- large trace change predicted (0.000520131%)
- linmin: converged after 15 iterations.
- iteration 144: trace = 2.486408705250284 (0.000519465% change)
- linmin: converged after 6 iterations.
- iteration 145: trace = 2.486391995234417 (0.000672057% change)
- linmin: converged after 3 iterations.
- iteration 146: trace = 2.486387492495172 (0.000181095% change)
- large trace change predicted (0.000450639%)
- linmin: converged after 3 iterations.
- iteration 147: trace = 2.486376285763708 (0.000450724% change)
- linmin: converged after 4 iterations.
- iteration 148: trace = 2.486363602493589 (0.000510112% change)
- linmin: converged after 3 iterations.
- iteration 149: trace = 2.486359943403615 (0.000147166% change)
- large trace change predicted (0.000895146%)
- linmin: converged after 5 iterations.
- iteration 150: trace = 2.486337672880415 (0.000895712% change)
- linmin: converged after 3 iterations.
- iteration 151: trace = 2.486322372652038 (0.000615374% change)
- linmin: converged after 3 iterations.
- iteration 152: trace = 2.486310286550961 (0.000486105% change)
- linmin: converged after 4 iterations.
- iteration 153: trace = 2.486288351519972 (0.000882236% change)
- linmin: converged after 3 iterations.
- iteration 154: trace = 2.486270461204038 (0.000719562% change)
- linmin: converged after 3 iterations.
- iteration 155: trace = 2.486265078233208 (0.000216508% change)
- large trace change predicted (0.000473784%)
- linmin: converged after 3 iterations.
- iteration 156: trace = 2.486253288137071 (0.00047421% change)
- linmin: converged after 3 iterations.
- iteration 157: trace = 2.486244471224024 (0.000354627% change)
- linmin: converged after 3 iterations.
- iteration 158: trace = 2.486241791578302 (0.000107779% change)
- large trace change predicted (0.000397653%)
- linmin: converged after 3 iterations.
- iteration 159: trace = 2.486231901543722 (0.000397791% change)
- linmin: converged after 3 iterations.
- iteration 160: trace = 2.486229388624313 (0.000101073% change)
- large trace change predicted (0.000218116%)
- linmin: converged after 3 iterations.
- iteration 161: trace = 2.486223965460543 (0.000218128% change)
- linmin: converged after 3 iterations.
- iteration 162: trace = 2.486219141454832 (0.00019403% change)
- linmin: converged after 3 iterations.
- iteration 163: trace = 2.486216681749386 (9.89336e-05% change)
- large trace change predicted (0.000284402%)
- linmin: converged after 6 iterations.
- iteration 164: trace = 2.486209618362964 (0.000284102% change)
- linmin: converged after 23 iterations.
- iteration 165: trace = 2.486198883418821 (0.00043178% change)
- linmin: converged after 19 iterations.
- iteration 166: trace = 2.486195868179986 (0.000121279% change)
- large trace change predicted (0.000255398%)
- linmin: converged after 4 iterations.
- iteration 167: trace = 2.486189521272439 (0.000255286% change)
- linmin: converged after 4 iterations.
- iteration 168: trace = 2.486181623261373 (0.000317676% change)
- linmin: converged after 3 iterations.
- iteration 169: trace = 2.486178527728146 (0.00012451% change)
- linmin: converged after 4 iterations.
- iteration 170: trace = 2.486172932683418 (0.000225046% change)
- linmin: converged after 4 iterations.
- iteration 171: trace = 2.486164266855635 (0.000348562% change)
- linmin: converged after 4 iterations.
- iteration 172: trace = 2.486160649663025 (0.000145493% change)
- large trace change predicted (0.000303333%)
- linmin: converged after 3 iterations.
- iteration 173: trace = 2.486153110623879 (0.000303241% change)
- linmin: converged after 4 iterations.
- iteration 174: trace = 2.486145958516302 (0.000287678% change)
- linmin: converged after 7 iterations.
- iteration 175: trace = 2.486143253537672 (0.000108802% change)
- large trace change predicted (0.000275365%)
- linmin: converged after 3 iterations.
- iteration 176: trace = 2.486136409821238 (0.000275275% change)
- linmin: converged after 4 iterations.
- iteration 177: trace = 2.48613149952664 (0.000197507% change)
- linmin: converged after 5 iterations.
- iteration 178: trace = 2.486129092153331 (9.68321e-05% change)
- linmin: converged after 3 iterations.
- iteration 179: trace = 2.48612481206577 (0.000172159% change)
- linmin: converged after 4 iterations.
- iteration 180: trace = 2.486122211310087 (0.000104611% change)
- linmin: converged after 3 iterations.
- iteration 181: trace = 2.486119066555182 (0.000126492% change)
- large trace change predicted (0.000341478%)
- linmin: converged after 4 iterations.
- iteration 182: trace = 2.486110582934301 (0.00034124% change)
- linmin: converged after 3 iterations.
- iteration 183: trace = 2.486105934249012 (0.000186986% change)
- linmin: converged after 4 iterations.
- iteration 184: trace = 2.486103648652534 (9.19348e-05% change)
- linmin: converged after 3 iterations.
- iteration 185: trace = 2.486099630498395 (0.000161625% change)
- linmin: converged after 3 iterations.
- iteration 186: trace = 2.486095589937971 (0.000162526% change)
- linmin: converged after 3 iterations.
- iteration 187: trace = 2.486093695745089 (7.61915e-05% change)
- large trace change predicted (0.000189711%)
- linmin: converged after 5 iterations.
- iteration 188: trace = 2.486088979197969 (0.000189717% change)
- linmin: converged after 3 iterations.
- iteration 189: trace = 2.486086845441113 (8.58279e-05% change)
- large trace change predicted (0.000210963%)
- linmin: converged after 3 iterations.
- iteration 190: trace = 2.486081598975246 (0.000211033% change)
- linmin: converged after 3 iterations.
- iteration 191: trace = 2.486075445989276 (0.000247498% change)
- linmin: converged after 3 iterations.
- iteration 192: trace = 2.486072784963713 (0.000107037% change)
- linmin: converged after 3 iterations.
- iteration 193: trace = 2.486067978207759 (0.000193348% change)
- linmin: converged after 3 iterations.
- iteration 194: trace = 2.486062669328761 (0.000213545% change)
- linmin: converged after 3 iterations.
- iteration 195: trace = 2.486061490394072 (4.74218e-05% change)
- large trace change predicted (0.000140042%)
- linmin: converged after 4 iterations.
- iteration 196: trace = 2.486058007016652 (0.000140116% change)
- linmin: converged after 3 iterations.
- iteration 197: trace = 2.486054811393256 (0.000128542% change)
- linmin: converged after 5 iterations.
- iteration 198: trace = 2.486053727921057 (4.3582e-05% change)
- large trace change predicted (9.18039e-05%)
- linmin: converged after 3 iterations.
- iteration 199: trace = 2.486051444543701 (9.18475e-05% change)
- linmin: converged after 4 iterations.
- iteration 200: trace = 2.48604871018823 (0.000109988% change)
- linmin: converged after 4 iterations.
- iteration 201: trace = 2.486047081327871 (6.55201e-05% change)
- linmin: converged after 3 iterations.
- iteration 202: trace = 2.486045468864992 (6.48605e-05% change)
- large trace change predicted (0.000223438%)
- linmin: converged after 4 iterations.
- iteration 203: trace = 2.486039910217959 (0.000223594% change)
- linmin: converged after 2 iterations.
- iteration 204: trace = 2.486038922013825 (3.97501e-05% change)
- large trace change predicted (0.000199919%)
- linmin: converged after 3 iterations.
- iteration 205: trace = 2.486033950211503 (0.000199989% change)
- linmin: converged after 3 iterations.
- iteration 206: trace = 2.486031306054993 (0.00010636% change)
- linmin: converged after 4 iterations.
- iteration 207: trace = 2.486030231168287 (4.32371e-05% change)
- large trace change predicted (8.93124e-05%)
- linmin: converged after 4 iterations.
- iteration 208: trace = 2.486028011030611 (8.93046e-05% change)
- large trace change predicted (0.000184494%)
- linmin: converged after 6 iterations.
- iteration 209: trace = 2.486023428236718 (0.000184342% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 210: trace = 2.48602202168585 (5.65784e-05% change)
- linmin: converged after 12 iterations.
- iteration 211: trace = 2.486020018723904 (8.0569e-05% change)
- linmin: converged after 3 iterations.
- iteration 212: trace = 2.486018320754877 (6.83007e-05% change)
- linmin: converged after 3 iterations.
- iteration 213: trace = 2.486017457263136 (3.47339e-05% change)
- large trace change predicted (7.40508e-05%)
- linmin: converged after 4 iterations.
- iteration 214: trace = 2.486015616836127 (7.40312e-05% change)
- linmin: converged after 10 iterations.
- iteration 215: trace = 2.486012916941027 (0.000108603% change)
- linmin: converged after 3 iterations.
- iteration 216: trace = 2.486012291214537 (2.51699e-05% change)
- large trace change predicted (8.39124e-05%)
- linmin: converged after 4 iterations.
- iteration 217: trace = 2.486010206453553 (8.38597e-05% change)
- linmin: converged after 3 iterations.
- iteration 218: trace = 2.486008460770565 (7.02203e-05% change)
- linmin: converged after 4 iterations.
- iteration 219: trace = 2.486007789783964 (2.69905e-05% change)
- large trace change predicted (8.16819e-05%)
- linmin: converged after 5 iterations.
- iteration 220: trace = 2.486005760354276 (8.16341e-05% change)
- linmin: converged after 3 iterations.
- iteration 221: trace = 2.486005045497719 (2.87552e-05% change)
- large trace change predicted (6.61263e-05%)
- linmin: converged after 9 iterations.
- iteration 222: trace = 2.486003402161579 (6.61035e-05% change)
- linmin: converged after 5 iterations.
- iteration 223: trace = 2.486001996233311 (5.65538e-05% change)
- linmin: converged after 3 iterations.
- iteration 224: trace = 2.486000042584344 (7.8586e-05% change)
- linmin: converged after 5 iterations.
- iteration 225: trace = 2.485999119309783 (3.7139e-05% change)
- large trace change predicted (0.000140858%)
- linmin: converged after 10 iterations.
- iteration 226: trace = 2.485995618704608 (0.000140813% change)
- linmin: converged after 3 iterations.
- iteration 227: trace = 2.485994100233929 (6.1081e-05% change)
- linmin: converged after 3 iterations.
- iteration 228: trace = 2.485991521445129 (0.000103733% change)
- linmin: converged after 3 iterations.
- iteration 229: trace = 2.485988403934094 (0.000125403% change)
- linmin: converged after 3 iterations.
- iteration 230: trace = 2.485987503584906 (3.6217e-05% change)
- large trace change predicted (0.000111695%)
- linmin: converged after 5 iterations.
- iteration 231: trace = 2.485984727381403 (0.000111674% change)
- linmin: converged after 5 iterations.
- iteration 232: trace = 2.485982326403656 (9.65806e-05% change)
- linmin: converged after 5 iterations.
- iteration 233: trace = 2.485981651611549 (2.71439e-05% change)
- large trace change predicted (6.92219e-05%)
- linmin: converged after 3 iterations.
- iteration 234: trace = 2.485979930570006 (6.92299e-05% change)
- linmin: converged after 5 iterations.
- iteration 235: trace = 2.485977905199617 (8.14717e-05% change)
- linmin: converged after 3 iterations.
- iteration 236: trace = 2.48597730380663 (2.41914e-05% change)
- large trace change predicted (8.42799e-05%)
- linmin: converged after 4 iterations.
- iteration 237: trace = 2.485975208536899 (8.42836e-05% change)
- linmin: converged after 4 iterations.
- iteration 238: trace = 2.485972481099969 (0.000109713% change)
- linmin: converged after 5 iterations.
- iteration 239: trace = 2.485971839214122 (2.58203e-05% change)
- large trace change predicted (5.6214e-05%)
- linmin: converged after 3 iterations.
- iteration 240: trace = 2.485970441700708 (5.6216e-05% change)
- linmin: converged after 3 iterations.
- iteration 241: trace = 2.485968844084179 (6.42653e-05% change)
- linmin: converged after 3 iterations.
- iteration 242: trace = 2.485968424802206 (1.68659e-05% change)
- large trace change predicted (6.98542e-05%)
- linmin: converged after 4 iterations.
- iteration 243: trace = 2.485966688376817 (6.98491e-05% change)
- linmin: converged after 4 iterations.
- iteration 244: trace = 2.485965446971699 (4.99365e-05% change)
- linmin: converged after 3 iterations.
- iteration 245: trace = 2.485964604852616 (3.38749e-05% change)
- large trace change predicted (0.000103126%)
- linmin: converged after 3 iterations.
- iteration 246: trace = 2.485962041276639 (0.000103122% change)
- linmin: converged after 6 iterations.
- iteration 247: trace = 2.485960303402692 (6.99075e-05% change)
- linmin: converged after 5 iterations.
- iteration 248: trace = 2.485957665169964 (0.000106125% change)
- linmin: converged after 3 iterations.
- iteration 249: trace = 2.485954723603623 (0.000118327% change)
- linmin: converged after 3 iterations.
- iteration 250: trace = 2.485954009590688 (2.87219e-05% change)
- linmin: converged after 5 iterations.
- iteration 251: trace = 2.485952659138304 (5.43233e-05% change)
- linmin: converged after 4 iterations.
- iteration 252: trace = 2.485950347235431 (9.29987e-05% change)
- linmin: converged after 4 iterations.
- iteration 253: trace = 2.485949172321636 (4.72622e-05% change)
- linmin: converged after 4 iterations.
- iteration 254: trace = 2.485947577225308 (6.41645e-05% change)
- linmin: converged after 3 iterations.
- iteration 255: trace = 2.485945662020343 (7.70413e-05% change)
- linmin: converged after 3 iterations.
- iteration 256: trace = 2.485944562755226 (4.42192e-05% change)
- linmin: converged after 3 iterations.
- iteration 257: trace = 2.485943623257654 (3.77924e-05% change)
- linmin: converged after 4 iterations.
- iteration 258: trace = 2.485942113115575 (6.07473e-05% change)
- linmin: converged after 3 iterations.
- iteration 259: trace = 2.485941692883185 (1.69044e-05% change)
- large trace change predicted (5.55981e-05%)
- linmin: converged after 3 iterations.
- iteration 260: trace = 2.485940310662413 (5.56015e-05% change)
- linmin: converged after 4 iterations.
- iteration 261: trace = 2.485938556977435 (7.05442e-05% change)
- linmin: converged after 3 iterations.
- iteration 262: trace = 2.485938117284358 (1.76872e-05% change)
- large trace change predicted (5.47196e-05%)
- linmin: converged after 4 iterations.
- iteration 263: trace = 2.485936757504735 (5.46989e-05% change)
- linmin: converged after 4 iterations.
- iteration 264: trace = 2.485934872111849 (7.58424e-05% change)
- linmin: converged after 2 iterations.
- iteration 265: trace = 2.485934342667958 (2.12976e-05% change)
- large trace change predicted (0.000115978%)
- linmin: converged after 20 iterations.
- iteration 266: trace = 2.485931462012558 (0.000115878% change)
- linmin: converged after 4 iterations.
- iteration 267: trace = 2.485929664190849 (7.23199e-05% change)
- linmin: converged after 3 iterations.
- iteration 268: trace = 2.48592863729641 (4.13083e-05% change)
- large trace change predicted (9.58579e-05%)
- linmin: converged after 7 iterations.
- iteration 269: trace = 2.485926255828979 (9.57979e-05% change)
- linmin: converged after 3 iterations.
- iteration 270: trace = 2.485924124492907 (8.57361e-05% change)
- linmin: converged after 5 iterations.
- iteration 271: trace = 2.485923745827829 (1.52324e-05% change)
- large trace change predicted (7.43766e-05%)
- linmin: converged after 3 iterations.
- iteration 272: trace = 2.485921896978573 (7.43728e-05% change)
- linmin: converged after 5 iterations.
- iteration 273: trace = 2.485921078711772 (3.2916e-05% change)
- linmin: converged after 3 iterations.
- iteration 274: trace = 2.48592048381861 (2.39305e-05% change)
- large trace change predicted (7.98036e-05%)
- linmin: converged after 4 iterations.
- iteration 275: trace = 2.485918499997581 (7.98023e-05% change)
- linmin: converged after 3 iterations.
- iteration 276: trace = 2.485917726900054 (3.10991e-05% change)
- linmin: converged after 4 iterations.
- iteration 277: trace = 2.485916798874416 (3.73313e-05% change)
- linmin: converged after 3 iterations.
- iteration 278: trace = 2.485915841890903 (3.84962e-05% change)
- linmin: converged after 4 iterations.
- iteration 279: trace = 2.485915428001314 (1.66494e-05% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 280: trace = 2.485915156796766 (1.09096e-05% change)
- large trace change predicted (2.45237e-05%)
- linmin: converged after 4 iterations.
- iteration 281: trace = 2.485914547198413 (2.45221e-05% change)
- linmin: converged after 2 iterations.
- iteration 282: trace = 2.48591397024841 (2.32088e-05% change)
- linmin: converged after 3 iterations.
- iteration 283: trace = 2.485913416994713 (2.22555e-05% change)
- linmin: converged after 4 iterations.
- iteration 284: trace = 2.485912346741366 (4.30527e-05% change)
- linmin: converged after 4 iterations.
- iteration 285: trace = 2.485911911775135 (1.74972e-05% change)
- large trace change predicted (3.78617e-05%)
- linmin: converged after 3 iterations.
- iteration 286: trace = 2.485910970666737 (3.78577e-05% change)
- linmin: converged after 3 iterations.
- iteration 287: trace = 2.485909928737816 (4.19134e-05% change)
- linmin: converged after 3 iterations.
- iteration 288: trace = 2.485909652038214 (1.11307e-05% change)
- large trace change predicted (3.44923e-05%)
- linmin: converged after 4 iterations.
- iteration 289: trace = 2.485908794542906 (3.44942e-05% change)
- linmin: converged after 3 iterations.
- iteration 290: trace = 2.485907580723941 (4.8828e-05% change)
- linmin: converged after 3 iterations.
- iteration 291: trace = 2.485907230171407 (1.41016e-05% change)
- large trace change predicted (7.80145e-05%)
- linmin: converged after 5 iterations.
- iteration 292: trace = 2.485905288868155 (7.80924e-05% change)
- linmin: converged after 3 iterations.
- iteration 293: trace = 2.485904457413371 (3.34468e-05% change)
- linmin: converged after 3 iterations.
- iteration 294: trace = 2.485903618487427 (3.37473e-05% change)
- linmin: converged after 3 iterations.
- iteration 295: trace = 2.485902688182957 (3.74232e-05% change)
- linmin: converged after 3 iterations.
- iteration 296: trace = 2.485901918355574 (3.09677e-05% change)
- linmin: converged after 3 iterations.
- iteration 297: trace = 2.485901734629439 (7.39072e-06% change)
- large trace change predicted (3.39546e-05%)
- linmin: converged after 3 iterations.
- iteration 298: trace = 2.485900890495897 (3.39568e-05% change)
- linmin: converged after 3 iterations.
- iteration 299: trace = 2.48590041018798 (1.93213e-05% change)
- linmin: converged after 4 iterations.
- iteration 300: trace = 2.485900180711757 (9.23111e-06% change)
- large trace change predicted (2.9496e-05%)
- linmin: converged after 3 iterations.
- iteration 301: trace = 2.485899447482988 (2.94955e-05% change)
- linmin: converged after 3 iterations.
- iteration 302: trace = 2.485899135824026 (1.25371e-05% change)
- large trace change predicted (2.62525e-05%)
- linmin: converged after 3 iterations.
- iteration 303: trace = 2.485898483180081 (2.62538e-05% change)
- linmin: converged after 3 iterations.
- iteration 304: trace = 2.485897748158209 (2.95677e-05% change)
- linmin: converged after 13 iterations.
- iteration 305: trace = 2.485897472633001 (1.10835e-05% change)
- large trace change predicted (2.76783e-05%)
- linmin: converged after 4 iterations.
- iteration 306: trace = 2.485896784643212 (2.76757e-05% change)
- linmin: converged after 3 iterations.
- iteration 307: trace = 2.485896208114291 (2.3192e-05% change)
- linmin: converged after 16 iterations.
- iteration 308: trace = 2.485895611119694 (2.40153e-05% change)
- linmin: converged after 2 iterations.
- iteration 309: trace = 2.485895272828215 (1.36084e-05% change)
- large trace change predicted (2.81279e-05%)
- linmin: converged after 3 iterations.
- iteration 310: trace = 2.485894573694849 (2.8124e-05% change)
- linmin: converged after 3 iterations.
- iteration 311: trace = 2.485894358226965 (8.66762e-06% change)
- large trace change predicted (2.39788e-05%)
- linmin: converged after 5 iterations.
- iteration 312: trace = 2.485893762301133 (2.39723e-05% change)
- linmin: converged after 3 iterations.
- iteration 313: trace = 2.485893047776924 (2.87432e-05% change)
- linmin: converged after 3 iterations.
- iteration 314: trace = 2.485892908701802 (5.59457e-06% change)
- large trace change predicted (2.65519e-05%)
- linmin: converged after 3 iterations.
- iteration 315: trace = 2.485892248902879 (2.65417e-05% change)
- linmin: converged after 3 iterations.
- iteration 316: trace = 2.485891877518642 (1.49397e-05% change)
- linmin: converged after 4 iterations.
- iteration 317: trace = 2.485891750872335 (5.0946e-06% change)
- large trace change predicted (1.6811e-05%)
- linmin: converged after 3 iterations.
- iteration 318: trace = 2.485891333048813 (1.68078e-05% change)
- linmin: converged after 5 iterations.
- iteration 319: trace = 2.485890959707071 (1.50184e-05% change)
- linmin: converged after 19 iterations.
- iteration 320: trace = 2.485890817568823 (5.7178e-06% change)
- large trace change predicted (2.65065e-05%)
- linmin: converged after 16 iterations.
- iteration 321: trace = 2.485890158826757 (2.64992e-05% change)
- linmin: converged after 4 iterations.
- iteration 322: trace = 2.485889705876483 (1.82208e-05% change)
- linmin: converged after 3 iterations.
- iteration 323: trace = 2.485889538126151 (6.7481e-06% change)
- large trace change predicted (1.95807e-05%)
- linmin: converged after 4 iterations.
- iteration 324: trace = 2.485889051509746 (1.95751e-05% change)
- linmin: converged after 2 iterations.
- iteration 325: trace = 2.485888757339809 (1.18336e-05% change)
- linmin: converged after 4 iterations.
- iteration 326: trace = 2.485888545542125 (8.52e-06% change)
- large trace change predicted (1.97252e-05%)
- linmin: converged after 7 iterations.
- iteration 327: trace = 2.485888055232837 (1.97237e-05% change)
- linmin: converged after 2 iterations.
- iteration 328: trace = 2.485887788638825 (1.07243e-05% change)
- linmin: converged after 3 iterations.
- iteration 329: trace = 2.485887463090222 (1.30959e-05% change)
- large trace change predicted (2.65074e-05%)
- linmin: converged after 3 iterations.
- iteration 330: trace = 2.485886804123782 (2.65083e-05% change)
- linmin: converged after 5 iterations.
- iteration 331: trace = 2.485886494136767 (1.24699e-05% change)
- linmin: converged after 3 iterations.
- iteration 332: trace = 2.48588596819191 (2.11572e-05% change)
- linmin: converged after 3 iterations.
- iteration 333: trace = 2.485885515568653 (1.82077e-05% change)
- linmin: converged after 2 iterations.
- iteration 334: trace = 2.485885362111051 (6.17316e-06% change)
- linmin: converged after 2 iterations.
- iteration 335: trace = 2.485885210707106 (6.09054e-06% change)
- linmin: converged after 3 iterations.
- iteration 336: trace = 2.485884945045744 (1.06868e-05% change)
- linmin: converged after 4 iterations.
- iteration 337: trace = 2.485884877394166 (2.72143e-06% change)
- large trace change predicted (8.92198e-06%)
- linmin: converged after 4 iterations.
- iteration 338: trace = 2.485884655577982 (8.92303e-06% change)
- linmin: converged after 3 iterations.
- iteration 339: trace = 2.485884475797544 (7.23205e-06% change)
- linmin: converged after 4 iterations.
- iteration 340: trace = 2.485884400738471 (3.01941e-06% change)
- large trace change predicted (1.03345e-05%)
- linmin: converged after 3 iterations.
- iteration 341: trace = 2.485884143787008 (1.03364e-05% change)
- linmin: converged after 3 iterations.
- iteration 342: trace = 2.485883765246077 (1.52276e-05% change)
- linmin: converged after 4 iterations.
- iteration 343: trace = 2.485883671025189 (3.79024e-06% change)
- large trace change predicted (1.2505e-05%)
- linmin: converged after 3 iterations.
- iteration 344: trace = 2.485883360095597 (1.25078e-05% change)
- linmin: converged after 4 iterations.
- iteration 345: trace = 2.485883118815805 (9.706e-06% change)
- linmin: converged after 6 iterations.
- iteration 346: trace = 2.485883019168665 (4.00852e-06% change)
- large trace change predicted (1.35496e-05%)
- linmin: converged after 5 iterations.
- iteration 347: trace = 2.485882682316431 (1.35506e-05% change)
- linmin: converged after 3 iterations.
- iteration 348: trace = 2.485882555980481 (5.08214e-06% change)
- linmin: converged after 3 iterations.
- iteration 349: trace = 2.485882306930253 (1.00186e-05% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 350: trace = 2.48588209723502 (8.43545e-06% change)
- linmin: converged after 3 iterations.
- iteration 351: trace = 2.48588200409695 (3.74668e-06% change)
- large trace change predicted (1.0543e-05%)
- linmin: converged after 3 iterations.
- iteration 352: trace = 2.485881742042807 (1.05417e-05% change)
- linmin: converged after 3 iterations.
- iteration 353: trace = 2.485881636544489 (4.2439e-06% change)
- linmin: converged after 4 iterations.
- iteration 354: trace = 2.485881483251974 (6.16653e-06% change)
- linmin: converged after 5 iterations.
- iteration 355: trace = 2.485881204668219 (1.12066e-05% change)
- linmin: converged after 6 iterations.
- iteration 356: trace = 2.485881132200586 (2.91517e-06% change)
- large trace change predicted (7.88748e-06%)
- linmin: converged after 4 iterations.
- iteration 357: trace = 2.485880936172148 (7.88567e-06% change)
- linmin: converged after 3 iterations.
- iteration 358: trace = 2.485880777292191 (6.39129e-06% change)
- linmin: converged after 3 iterations.
- iteration 359: trace = 2.485880700031593 (3.10798e-06% change)
- large trace change predicted (6.38219e-06%)
- linmin: converged after 14 iterations.
- iteration 360: trace = 2.485880541401155 (6.38126e-06% change)
- linmin: converged after 3 iterations.
- iteration 361: trace = 2.485880354929694 (7.50122e-06% change)
- linmin: converged after 3 iterations.
- iteration 362: trace = 2.485880294930855 (2.41359e-06% change)
- large trace change predicted (6.20151e-06%)
- linmin: converged after 6 iterations.
- iteration 363: trace = 2.485880140784376 (6.20088e-06% change)
- linmin: converged after 4 iterations.
- iteration 364: trace = 2.485879979101922 (6.50403e-06% change)
- linmin: converged after 4 iterations.
- iteration 365: trace = 2.485879919103026 (2.41359e-06% change)
- large trace change predicted (1.33255e-05%)
- linmin: converged after 8 iterations.
- iteration 366: trace = 2.485879587889342 (1.33238e-05% change)
- linmin: converged after 7 iterations.
- iteration 367: trace = 2.485879201432082 (1.55461e-05% change)
- linmin: converged after 3 iterations.
- iteration 368: trace = 2.485879067998373 (5.36767e-06% change)
- large trace change predicted (1.37008e-05%)
- linmin: converged after 3 iterations.
- iteration 369: trace = 2.485878727406584 (1.37011e-05% change)
- linmin: converged after 3 iterations.
- iteration 370: trace = 2.485878428101167 (1.20402e-05% change)
- linmin: converged after 2 iterations.
- iteration 371: trace = 2.485878346726981 (3.27346e-06% change)
- large trace change predicted (1.08916e-05%)
- linmin: converged after 2 iterations.
- iteration 372: trace = 2.485878075971529 (1.08917e-05% change)
- linmin: converged after 2 iterations.
- iteration 373: trace = 2.485877928417474 (5.93569e-06% change)
- linmin: converged after 3 iterations.
- iteration 374: trace = 2.48587782103891 (4.31954e-06% change)
- large trace change predicted (8.99719e-06%)
- linmin: converged after 5 iterations.
- iteration 375: trace = 2.485877597367579 (8.99768e-06% change)
- linmin: converged after 3 iterations.
- iteration 376: trace = 2.485877350423996 (9.93386e-06% change)
- linmin: converged after 4 iterations.
- iteration 377: trace = 2.485877285297414 (2.61986e-06% change)
- large trace change predicted (1.09292e-05%)
- linmin: converged after 3 iterations.
- iteration 378: trace = 2.485877013583101 (1.09303e-05% change)
- linmin: converged after 3 iterations.
- iteration 379: trace = 2.485876883662909 (5.22633e-06% change)
- linmin: converged after 4 iterations.
- iteration 380: trace = 2.485876813353013 (2.82837e-06% change)
- linmin: converged after 2 iterations.
- iteration 381: trace = 2.48587669382159 (4.80842e-06% change)
- linmin: converged after 3 iterations.
- iteration 382: trace = 2.485876488279835 (8.26838e-06% change)
- linmin: converged after 3 iterations.
- iteration 383: trace = 2.485876440512067 (1.92157e-06% change)
- large trace change predicted (8.09195e-06%)
- linmin: converged after 3 iterations.
- iteration 384: trace = 2.485876239372412 (8.0913e-06% change)
- linmin: converged after 3 iterations.
- iteration 385: trace = 2.485876027286559 (8.53163e-06% change)
- linmin: converged after 4 iterations.
- iteration 386: trace = 2.485875946859879 (3.23535e-06% change)
- large trace change predicted (1.41237e-05%)
- linmin: converged after 4 iterations.
- iteration 387: trace = 2.485875595742851 (1.41245e-05% change)
- linmin: converged after 4 iterations.
- iteration 388: trace = 2.485875514501315 (3.26813e-06% change)
- large trace change predicted (1.03704e-05%)
- linmin: converged after 7 iterations.
- iteration 389: trace = 2.485875256708515 (1.03703e-05% change)
- linmin: converged after 6 iterations.
- iteration 390: trace = 2.485875066155807 (7.66542e-06% change)
- linmin: converged after 3 iterations.
- iteration 391: trace = 2.485874969091101 (3.90465e-06% change)
- linmin: converged after 17 iterations.
- iteration 392: trace = 2.485874801742324 (6.73199e-06% change)
- linmin: converged after 3 iterations.
- iteration 393: trace = 2.485874522054159 (1.12511e-05% change)
- linmin: converged after 3 iterations.
- iteration 394: trace = 2.485874392273183 (5.22074e-06% change)
- linmin: converged after 3 iterations.
- iteration 395: trace = 2.485874272914492 (4.80148e-06% change)
- linmin: converged after 5 iterations.
- iteration 396: trace = 2.485874066515826 (8.30286e-06% change)
- linmin: converged after 3 iterations.
- iteration 397: trace = 2.485873981502775 (3.41985e-06% change)
- linmin: converged after 3 iterations.
- iteration 398: trace = 2.485873847026941 (5.4096e-06% change)
- linmin: converged after 3 iterations.
- iteration 399: trace = 2.485873656468925 (7.66564e-06% change)
- linmin: converged after 3 iterations.
- iteration 400: trace = 2.485873592123216 (2.58845e-06% change)
- large trace change predicted (5.24019e-06%)
- linmin: converged after 4 iterations.
- iteration 401: trace = 2.485873461876362 (5.23948e-06% change)
- linmin: converged after 3 iterations.
- iteration 402: trace = 2.485873332707443 (5.19612e-06% change)
- linmin: converged after 3 iterations.
- iteration 403: trace = 2.485873263874981 (2.76894e-06% change)
- large trace change predicted (7.17064e-06%)
- linmin: converged after 3 iterations.
- iteration 404: trace = 2.485873085637827 (7.17e-06% change)
- linmin: converged after 3 iterations.
- iteration 405: trace = 2.485872821346301 (1.06317e-05% change)
- linmin: converged after 5 iterations.
- iteration 406: trace = 2.485872729276638 (3.70372e-06% change)
- large trace change predicted (1.06372e-05%)
- linmin: converged after 4 iterations.
- iteration 407: trace = 2.485872464910204 (1.06348e-05% change)
- linmin: converged after 3 iterations.
- iteration 408: trace = 2.485872311313276 (6.17879e-06% change)
- linmin: converged after 14 iterations.
- iteration 409: trace = 2.485872223936334 (3.51494e-06% change)
- large trace change predicted (7.78093e-06%)
- linmin: converged after 5 iterations.
- iteration 410: trace = 2.485872030531145 (7.78017e-06% change)
- linmin: converged after 3 iterations.
- iteration 411: trace = 2.485871884420846 (5.87763e-06% change)
- linmin: converged after 3 iterations.
- iteration 412: trace = 2.485871815218446 (2.78383e-06% change)
- linmin: converged after 4 iterations.
- iteration 413: trace = 2.485871683821008 (5.28577e-06% change)
- linmin: converged after 4 iterations.
- iteration 414: trace = 2.485871494428108 (7.61877e-06% change)
- linmin: converged after 5 iterations.
- iteration 415: trace = 2.48587145720753 (1.49728e-06% change)
- large trace change predicted (6.71818e-06%)
- linmin: converged after 3 iterations.
- iteration 416: trace = 2.485871290193783 (6.71852e-06% change)
- linmin: converged after 2 iterations.
- iteration 417: trace = 2.485871231414292 (2.36454e-06% change)
- linmin: converged after 3 iterations.
- iteration 418: trace = 2.485871190841979 (1.63212e-06% change)
- large trace change predicted (7.01105e-06%)
- linmin: converged after 4 iterations.
- iteration 419: trace = 2.485871016566595 (7.01064e-06% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 420: trace = 2.485870912572561 (4.1834e-06% change)
- linmin: converged after 2 iterations.
- iteration 421: trace = 2.485870880991395 (1.27043e-06% change)
- large trace change predicted (3.37745e-06%)
- linmin: converged after 3 iterations.
- iteration 422: trace = 2.485870797035556 (3.37732e-06% change)
- linmin: converged after 3 iterations.
- iteration 423: trace = 2.485870744256358 (2.12317e-06% change)
- linmin: converged after 7 iterations.
- iteration 424: trace = 2.485870670290663 (2.97544e-06% change)
- linmin: converged after 3 iterations.
- iteration 425: trace = 2.485870544491732 (5.06056e-06% change)
- linmin: converged after 3 iterations.
- iteration 426: trace = 2.485870481732443 (2.52464e-06% change)
- linmin: converged after 4 iterations.
- iteration 427: trace = 2.485870411175001 (2.83834e-06% change)
- linmin: converged after 26 iterations.
- iteration 428: trace = 2.485870290780793 (4.84314e-06% change)
- linmin: converged after 3 iterations.
- iteration 429: trace = 2.485870255391174 (1.42363e-06% change)
- large trace change predicted (4.73544e-06%)
- linmin: converged after 21 iterations.
- iteration 430: trace = 2.485870137671351 (4.73556e-06% change)
- linmin: converged after 15 iterations.
- iteration 431: trace = 2.485870039418725 (3.95244e-06% change)
- linmin: converged after 3 iterations.
- iteration 432: trace = 2.485869986993713 (2.10892e-06% change)
- large trace change predicted (5.35082e-06%)
- linmin: converged after 3 iterations.
- iteration 433: trace = 2.485869853958143 (5.35167e-06% change)
- linmin: converged after 3 iterations.
- iteration 434: trace = 2.485869680056128 (6.99562e-06% change)
- linmin: converged after 9 iterations.
- iteration 435: trace = 2.485869643684701 (1.46313e-06% change)
- large trace change predicted (5.63131e-06%)
- linmin: converged after 5 iterations.
- iteration 436: trace = 2.485869503665958 (5.63259e-06% change)
- linmin: converged after 14 iterations.
- iteration 437: trace = 2.485869439645072 (2.57539e-06% change)
- linmin: converged after 3 iterations.
- iteration 438: trace = 2.485869413994621 (1.03185e-06% change)
- large trace change predicted (3.37021e-06%)
- linmin: converged after 3 iterations.
- iteration 439: trace = 2.485869330210942 (3.3704e-06% change)
- linmin: converged after 12 iterations.
- iteration 440: trace = 2.48586928059478 (1.99593e-06% change)
- linmin: converged after 3 iterations.
- iteration 441: trace = 2.485869233179883 (1.90738e-06% change)
- linmin: converged after 4 iterations.
- iteration 442: trace = 2.485869145610005 (3.52271e-06% change)
- linmin: converged after 3 iterations.
- iteration 443: trace = 2.485869063473394 (3.30414e-06% change)
- linmin: converged after 2 iterations.
- iteration 444: trace = 2.485869041127063 (8.98934e-07% change)
- large trace change predicted (4.19972e-06%)
- linmin: converged after 5 iterations.
- iteration 445: trace = 2.485868936738284 (4.19929e-06% change)
- linmin: converged after 2 iterations.
- iteration 446: trace = 2.48586888401891 (2.12076e-06% change)
- linmin: converged after 4 iterations.
- iteration 447: trace = 2.485868832915147 (2.05577e-06% change)
- linmin: converged after 3 iterations.
- iteration 448: trace = 2.485868747720442 (3.42716e-06% change)
- linmin: converged after 4 iterations.
- iteration 449: trace = 2.485868684554225 (2.54101e-06% change)
- linmin: converged after 2 iterations.
- iteration 450: trace = 2.485868659687701 (1.00032e-06% change)
- large trace change predicted (2.96403e-06%)
- linmin: converged after 4 iterations.
- iteration 451: trace = 2.485868586011092 (2.96382e-06% change)
- linmin: converged after 4 iterations.
- iteration 452: trace = 2.485868490425078 (3.84518e-06% change)
- linmin: converged after 3 iterations.
- iteration 453: trace = 2.48586846793009 (9.04915e-07% change)
- large trace change predicted (2.81081e-06%)
- linmin: converged after 3 iterations.
- iteration 454: trace = 2.485868398063671 (2.81054e-06% change)
- linmin: converged after 7 iterations.
- iteration 455: trace = 2.485868322227633 (3.05069e-06% change)
- linmin: converged after 32 iterations.
- iteration 456: trace = 2.48586830730178 (6.00428e-07% change)
- large trace change predicted (2.52101e-06%)
- linmin: converged after 29 iterations.
- iteration 457: trace = 2.485868244635478 (2.5209e-06% change)
- linmin: converged after 10 iterations.
- iteration 458: trace = 2.485868224743199 (8.00215e-07% change)
- linmin: converged after 2 iterations.
- iteration 459: trace = 2.485868188256212 (1.46778e-06% change)
- linmin: converged after 3 iterations.
- iteration 460: trace = 2.48586815534189 (1.32406e-06% change)
- linmin: converged after 3 iterations.
- iteration 461: trace = 2.485868133450664 (8.80627e-07% change)
- large trace change predicted (1.98458e-06%)
- linmin: converged after 3 iterations.
- iteration 462: trace = 2.485868084120775 (1.98441e-06% change)
- linmin: converged after 4 iterations.
- iteration 463: trace = 2.485868019497456 (2.59963e-06% change)
- linmin: converged after 3 iterations.
- iteration 464: trace = 2.485867996293494 (9.33435e-07% change)
- linmin: converged after 4 iterations.
- iteration 465: trace = 2.485867953826549 (1.70833e-06% change)
- linmin: converged after 3 iterations.
- iteration 466: trace = 2.485867893073292 (2.44395e-06% change)
- linmin: converged after 3 iterations.
- iteration 467: trace = 2.485867876025061 (6.85806e-07% change)
- large trace change predicted (2.36046e-06%)
- linmin: converged after 3 iterations.
- iteration 468: trace = 2.485867817348503 (2.36041e-06% change)
- linmin: converged after 2 iterations.
- iteration 469: trace = 2.485867762714372 (2.19779e-06% change)
- linmin: converged after 5 iterations.
- iteration 470: trace = 2.485867734917171 (1.11821e-06% change)
- large trace change predicted (2.39405e-06%)
- linmin: converged after 2 iterations.
- iteration 471: trace = 2.485867675403512 (2.39408e-06% change)
- linmin: converged after 2 iterations.
- iteration 472: trace = 2.485867613174001 (2.50333e-06% change)
- linmin: converged after 16 iterations.
- iteration 473: trace = 2.485867592989133 (8.11985e-07% change)
- large trace change predicted (2.0842e-06%)
- linmin: converged after 8 iterations.
- iteration 474: trace = 2.485867541177512 (2.08425e-06% change)
- linmin: converged after 3 iterations.
- iteration 475: trace = 2.485867507563353 (1.35221e-06% change)
- linmin: converged after 22 iterations.
- iteration 476: trace = 2.485867498849147 (3.5055e-07% change)
- large trace change predicted (7.73015e-07%)
- linmin: converged after 2 iterations.
- iteration 477: trace = 2.485867479632895 (7.7302e-07% change)
- linmin: converged after 17 iterations.
- iteration 478: trace = 2.485867450606877 (1.16764e-06% change)
- linmin: converged after 32 iterations.
- iteration 479: trace = 2.485867444141832 (2.60072e-07% change)
- large trace change predicted (1.05355e-06%)
- linmin: converged after 4 iterations.
- iteration 480: trace = 2.485867417950375 (1.05361e-06% change)
- linmin: converged after 2 iterations.
- iteration 481: trace = 2.485867396817774 (8.5011e-07% change)
- linmin: converged after 2 iterations.
- iteration 482: trace = 2.485867386773368 (4.0406e-07% change)
- large trace change predicted (1.09553e-06%)
- linmin: converged after 3 iterations.
- iteration 483: trace = 2.485867359538926 (1.09557e-06% change)
- linmin: converged after 2 iterations.
- iteration 484: trace = 2.48586732478117 (1.39821e-06% change)
- linmin: converged after 4 iterations.
- iteration 485: trace = 2.485867311055481 (5.52149e-07% change)
- large trace change predicted (1.7335e-06%)
- linmin: converged after 3 iterations.
- iteration 486: trace = 2.485867267961204 (1.73357e-06% change)
- linmin: converged after 2 iterations.
- iteration 487: trace = 2.485867244239801 (9.54251e-07% change)
- linmin: converged after 2 iterations.
- iteration 488: trace = 2.485867233828202 (4.18832e-07% change)
- large trace change predicted (1.25791e-06%)
- linmin: converged after 5 iterations.
- iteration 489: trace = 2.48586720255778 (1.25793e-06% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 490: trace = 2.485867179788646 (9.15943e-07% change)
- linmin: converged after 3 iterations.
- iteration 491: trace = 2.485867169784331 (4.02448e-07% change)
- large trace change predicted (9.8972e-07%)
- linmin: converged after 3 iterations.
- iteration 492: trace = 2.485867145181219 (9.89719e-07% change)
- linmin: converged after 2 iterations.
- iteration 493: trace = 2.485867122368226 (9.17708e-07% change)
- linmin: converged after 18 iterations.
- iteration 494: trace = 2.485867109572829 (5.14726e-07% change)
- large trace change predicted (1.27129e-06%)
- linmin: converged after 3 iterations.
- iteration 495: trace = 2.485867077972008 (1.27122e-06% change)
- linmin: converged after 4 iterations.
- iteration 496: trace = 2.485867055912573 (8.87394e-07% change)
- linmin: converged after 2 iterations.
- iteration 497: trace = 2.485867044729456 (4.49868e-07% change)
- linmin: converged after 12 iterations.
- iteration 498: trace = 2.48586702695478 (7.15029e-07% change)
- linmin: converged after 8 iterations.
- iteration 499: trace = 2.485867016233747 (4.31279e-07% change)
- linmin: converged after 3 iterations.
- iteration 500: trace = 2.485867004623938 (4.67033e-07% change)
- large trace change predicted (9.55285e-07%)
- linmin: converged after 3 iterations.
- iteration 501: trace = 2.485866980878031 (9.55236e-07% change)
- linmin: converged after 4 iterations.
- iteration 502: trace = 2.485866973526107 (2.95749e-07% change)
- linmin: converged after 3 iterations.
- iteration 503: trace = 2.485866961229981 (4.94641e-07% change)
- linmin: converged after 3 iterations.
- iteration 504: trace = 2.485866939099254 (8.90262e-07% change)
- linmin: converged after 3 iterations.
- iteration 505: trace = 2.485866918690563 (8.20989e-07% change)
- linmin: converged after 4 iterations.
- iteration 506: trace = 2.485866895872162 (9.17925e-07% change)
- large trace change predicted (1.9145e-06%)
- linmin: converged after 4 iterations.
- iteration 507: trace = 2.485866848281662 (1.91444e-06% change)
- linmin: converged after 3 iterations.
- iteration 508: trace = 2.485866830020769 (7.34589e-07% change)
- linmin: converged after 9 iterations.
- iteration 509: trace = 2.485866798780411 (1.25672e-06% change)
- linmin: converged after 4 iterations.
- iteration 510: trace = 2.485866759679631 (1.57292e-06% change)
- linmin: converged after 3 iterations.
- iteration 511: trace = 2.485866751384479 (3.33693e-07% change)
- large trace change predicted (1.41447e-06%)
- linmin: converged after 2 iterations.
- iteration 512: trace = 2.485866716222462 (1.41448e-06% change)
- linmin: converged after 2 iterations.
- iteration 513: trace = 2.485866691268892 (1.00382e-06% change)
- linmin: converged after 3 iterations.
- iteration 514: trace = 2.485866681071788 (4.10203e-07% change)
- large trace change predicted (1.17446e-06%)
- linmin: converged after 2 iterations.
- iteration 515: trace = 2.485866651874806 (1.17452e-06% change)
- linmin: converged after 30 iterations.
- iteration 516: trace = 2.485866629997839 (8.80054e-07% change)
- linmin: converged after 24 iterations.
- iteration 517: trace = 2.485866618664308 (4.55919e-07% change)
- large trace change predicted (1.14796e-06%)
- linmin: converged after 3 iterations.
- iteration 518: trace = 2.485866590126886 (1.14799e-06% change)
- linmin: converged after 3 iterations.
- iteration 519: trace = 2.485866569538686 (8.2821e-07% change)
- linmin: converged after 8 iterations.
- iteration 520: trace = 2.48586655371236 (6.36652e-07% change)
- linmin: converged after 4 iterations.
- iteration 521: trace = 2.485866548712139 (2.01146e-07% change)
- large trace change predicted (9.13106e-07%)
- linmin: converged after 4 iterations.
- iteration 522: trace = 2.485866526013558 (9.13105e-07% change)
- linmin: converged after 2 iterations.
- iteration 523: trace = 2.485866506401708 (7.88934e-07% change)
- linmin: converged after 3 iterations.
- iteration 524: trace = 2.48586649009149 (6.56118e-07% change)
- large trace change predicted (1.48377e-06%)
- linmin: converged after 3 iterations.
- iteration 525: trace = 2.485866453205912 (1.48381e-06% change)
- linmin: converged after 4 iterations.
- iteration 526: trace = 2.485866436147058 (6.86234e-07% change)
- linmin: converged after 2 iterations.
- iteration 527: trace = 2.485866420919921 (6.12548e-07% change)
- linmin: converged after 2 iterations.
- iteration 528: trace = 2.485866390685679 (1.21625e-06% change)
- linmin: converged after 3 iterations.
- iteration 529: trace = 2.485866382828613 (3.1607e-07% change)
- large trace change predicted (9.44287e-07%)
- linmin: converged after 3 iterations.
- iteration 530: trace = 2.48586635935478 (9.44292e-07% change)
- linmin: converged after 20 iterations.
- iteration 531: trace = 2.485866335741836 (9.49888e-07% change)
- linmin: converged after 22 iterations.
- iteration 532: trace = 2.485866323248332 (5.02581e-07% change)
- large trace change predicted (1.07893e-06%)
- linmin: converged after 16 iterations.
- iteration 533: trace = 2.485866296426903 (1.07896e-06% change)
- linmin: converged after 5 iterations.
- iteration 534: trace = 2.48586626738511 (1.16828e-06% change)
- linmin: converged after 6 iterations.
- iteration 535: trace = 2.485866258972777 (3.38407e-07% change)
- large trace change predicted (9.12254e-07%)
- linmin: converged after 2 iterations.
- iteration 536: trace = 2.485866236295242 (9.12259e-07% change)
- linmin: converged after 5 iterations.
- iteration 537: trace = 2.485866212413076 (9.60718e-07% change)
- linmin: converged after 3 iterations.
- iteration 538: trace = 2.485866205654591 (2.71876e-07% change)
- large trace change predicted (7.64061e-07%)
- linmin: converged after 20 iterations.
- iteration 539: trace = 2.485866186660834 (7.6407e-07% change)
- linmin: converged after 4 iterations.
- iteration 540: trace = 2.485866170809313 (6.37666e-07% change)
- linmin: converged after 5 iterations.
- iteration 541: trace = 2.485866165744737 (2.03735e-07% change)
- large trace change predicted (7.56376e-07%)
- linmin: converged after 5 iterations.
- iteration 542: trace = 2.485866146942725 (7.56357e-07% change)
- linmin: converged after 11 iterations.
- iteration 543: trace = 2.485866130747774 (6.51481e-07% change)
- linmin: converged after 4 iterations.
- iteration 544: trace = 2.485866122032381 (3.50598e-07% change)
- large trace change predicted (1.51451e-06%)
- linmin: converged after 11 iterations.
- iteration 545: trace = 2.485866084388703 (1.51431e-06% change)
- linmin: converged after 29 iterations.
- iteration 546: trace = 2.485866075186559 (3.70179e-07% change)
- large trace change predicted (8.77737e-07%)
- linmin: converged after 4 iterations.
- iteration 547: trace = 2.485866053368421 (8.77688e-07% change)
- linmin: converged after 6 iterations.
- iteration 548: trace = 2.485866031826706 (8.66568e-07% change)
- linmin: converged after 4 iterations.
- iteration 549: trace = 2.485866010483658 (8.58576e-07% change)
- linmin: converged after 3 iterations.
- iteration 550: trace = 2.485866005734243 (1.91057e-07% change)
- large trace change predicted (9.3547e-07%)
- linmin: converged after 21 iterations.
- iteration 551: trace = 2.485865982479988 (9.35459e-07% change)
- linmin: converged after 3 iterations.
- iteration 552: trace = 2.485865964358965 (7.28962e-07% change)
- linmin: converged after 11 iterations.
- iteration 553: trace = 2.485865958564203 (2.33108e-07% change)
- large trace change predicted (5.43682e-07%)
- linmin: converged after 3 iterations.
- iteration 554: trace = 2.485865945048811 (5.43689e-07% change)
- linmin: converged after 6 iterations.
- iteration 555: trace = 2.485865926177687 (7.59137e-07% change)
- linmin: converged after 4 iterations.
- iteration 556: trace = 2.485865921908739 (1.71729e-07% change)
- large trace change predicted (3.74282e-07%)
- linmin: converged after 4 iterations.
- iteration 557: trace = 2.485865912604631 (3.7428e-07% change)
- linmin: converged after 7 iterations.
- iteration 558: trace = 2.485865898763034 (5.56812e-07% change)
- linmin: converged after 2 iterations.
- iteration 559: trace = 2.485865890594146 (3.28613e-07% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 560: trace = 2.485865883198732 (2.97498e-07% change)
- linmin: converged after 18 iterations.
- iteration 561: trace = 2.485865871369293 (4.75868e-07% change)
- linmin: converged after 4 iterations.
- iteration 562: trace = 2.485865863708871 (3.08159e-07% change)
- linmin: converged after 2 iterations.
- iteration 563: trace = 2.485865860684591 (1.21659e-07% change)
- large trace change predicted (6.55238e-07%)
- linmin: converged after 14 iterations.
- iteration 564: trace = 2.485865844397677 (6.55181e-07% change)
- linmin: converged after 26 iterations.
- iteration 565: trace = 2.485865835896939 (3.41963e-07% change)
- linmin: converged after 5 iterations.
- iteration 566: trace = 2.485865828655967 (2.91286e-07% change)
- linmin: converged after 3 iterations.
- iteration 567: trace = 2.485865815810901 (5.16724e-07% change)
- linmin: converged after 3 iterations.
- iteration 568: trace = 2.485865807771368 (3.2341e-07% change)
- linmin: converged after 5 iterations.
- iteration 569: trace = 2.485865795146291 (5.07874e-07% change)
- linmin: converged after 2 iterations.
- iteration 570: trace = 2.485865781367603 (5.54281e-07% change)
- linmin: converged after 20 iterations.
- iteration 571: trace = 2.485865772803337 (3.44518e-07% change)
- linmin: converged after 3 iterations.
- iteration 572: trace = 2.485865764162654 (3.47592e-07% change)
- linmin: converged after 4 iterations.
- iteration 573: trace = 2.485865747759466 (6.59858e-07% change)
- linmin: converged after 4 iterations.
- iteration 574: trace = 2.485865742153827 (2.255e-07% change)
- large trace change predicted (6.79819e-07%)
- linmin: converged after 3 iterations.
- iteration 575: trace = 2.485865725253269 (6.79866e-07% change)
- linmin: converged after 3 iterations.
- iteration 576: trace = 2.485865711751071 (5.43159e-07% change)
- linmin: converged after 3 iterations.
- iteration 577: trace = 2.485865708891211 (1.15045e-07% change)
- large trace change predicted (3.69306e-07%)
- linmin: converged after 3 iterations.
- iteration 578: trace = 2.485865699710651 (3.6931e-07% change)
- linmin: converged after 11 iterations.
- iteration 579: trace = 2.485865691388251 (3.34789e-07% change)
- linmin: converged after 7 iterations.
- iteration 580: trace = 2.485865683910438 (3.00813e-07% change)
- linmin: converged after 12 iterations.
- iteration 581: trace = 2.48586567938243 (1.8215e-07% change)
- large trace change predicted (4.60106e-07%)
- linmin: converged after 3 iterations.
- iteration 582: trace = 2.485865667945014 (4.60098e-07% change)
- linmin: converged after 3 iterations.
- iteration 583: trace = 2.485865662952972 (2.00817e-07% change)
- linmin: converged after 4 iterations.
- iteration 584: trace = 2.485865656701815 (2.51468e-07% change)
- large trace change predicted (5.37333e-07%)
- linmin: converged after 4 iterations.
- iteration 585: trace = 2.485865643345008 (5.3731e-07% change)
- linmin: converged after 4 iterations.
- iteration 586: trace = 2.485865640616766 (1.0975e-07% change)
- large trace change predicted (4.63027e-07%)
- linmin: converged after 3 iterations.
- iteration 587: trace = 2.48586562910696 (4.6301e-07% change)
- linmin: converged after 7 iterations.
- iteration 588: trace = 2.485865620579228 (3.43049e-07% change)
- linmin: converged after 4 iterations.
- iteration 589: trace = 2.485865610866434 (3.90721e-07% change)
- linmin: converged after 11 iterations.
- iteration 590: trace = 2.485865608049879 (1.13303e-07% change)
- large trace change predicted (4.24282e-07%)
- linmin: converged after 20 iterations.
- iteration 591: trace = 2.485865597503016 (4.24273e-07% change)
- linmin: converged after 14 iterations.
- iteration 592: trace = 2.485865593504626 (1.60845e-07% change)
- linmin: converged after 14 iterations.
- iteration 593: trace = 2.485865587123043 (2.56715e-07% change)
- linmin: converged after 5 iterations.
- iteration 594: trace = 2.485865576458851 (4.28993e-07% change)
- linmin: converged after 4 iterations.
- iteration 595: trace = 2.485865572939455 (1.41576e-07% change)
- linmin: converged after 4 iterations.
- iteration 596: trace = 2.48586556675149 (2.48926e-07% change)
- linmin: converged after 4 iterations.
- iteration 597: trace = 2.485865560634619 (2.46066e-07% change)
- linmin: converged after 19 iterations.
- iteration 598: trace = 2.485865559082415 (6.24412e-08% change)
- large trace change predicted (2.19717e-07%)
- linmin: converged after 3 iterations.
- iteration 599: trace = 2.485865553620635 (2.19713e-07% change)
- linmin: converged after 3 iterations.
- iteration 600: trace = 2.485865549531818 (1.64483e-07% change)
- linmin: converged after 6 iterations.
- iteration 601: trace = 2.485865547203728 (9.36531e-08% change)
- large trace change predicted (2.17335e-07%)
- linmin: converged after 4 iterations.
- iteration 602: trace = 2.485865541801099 (2.17334e-07% change)
- linmin: converged after 3 iterations.
- iteration 603: trace = 2.485865536131561 (2.28071e-07% change)
- linmin: converged after 9 iterations.
- iteration 604: trace = 2.485865532492405 (1.46394e-07% change)
- large trace change predicted (3.47301e-07%)
- linmin: converged after 8 iterations.
- iteration 605: trace = 2.485865523859311 (3.47287e-07% change)
- linmin: converged after 6 iterations.
- iteration 606: trace = 2.485865519053076 (1.93343e-07% change)
- linmin: converged after 8 iterations.
- iteration 607: trace = 2.485865516999705 (8.26018e-08% change)
- large trace change predicted (3.24611e-07%)
- linmin: converged after 4 iterations.
- iteration 608: trace = 2.485865508930416 (3.24607e-07% change)
- linmin: converged after 3 iterations.
- iteration 609: trace = 2.485865503966822 (1.99673e-07% change)
- linmin: converged after 4 iterations.
- iteration 610: trace = 2.485865498832388 (2.06545e-07% change)
- linmin: converged after 4 iterations.
- iteration 611: trace = 2.485865491854048 (2.80721e-07% change)
- linmin: converged after 14 iterations.
- iteration 612: trace = 2.485865482931558 (3.58929e-07% change)
- linmin: converged after 10 iterations.
- iteration 613: trace = 2.485865481365619 (6.29937e-08% change)
- large trace change predicted (2.19712e-07%)
- linmin: converged after 4 iterations.
- iteration 614: trace = 2.485865475903803 (2.19715e-07% change)
- linmin: converged after 4 iterations.
- iteration 615: trace = 2.485865472071529 (1.54163e-07% change)
- linmin: converged after 6 iterations.
- iteration 616: trace = 2.485865471161913 (3.65915e-08% change)
- large trace change predicted (9.4761e-08%)
- linmin: converged after 6 iterations.
- iteration 617: trace = 2.485865468806269 (9.47615e-08% change)
- linmin: converged after 2 iterations.
- iteration 618: trace = 2.485865465853961 (1.18764e-07% change)
- linmin: converged after 27 iterations.
- iteration 619: trace = 2.485865464892822 (3.86642e-08% change)
- large trace change predicted (1.09374e-07%)
- linmin: converged after 2 iterations.
- iteration 620: trace = 2.485865462173916 (1.09375e-07% change)
- linmin: converged after 5 iterations.
- iteration 621: trace = 2.485865459243237 (1.17894e-07% change)
- linmin: converged after 4 iterations.
- iteration 622: trace = 2.485865458284646 (3.85617e-08% change)
- large trace change predicted (1.13672e-07%)
- linmin: converged after 4 iterations.
- iteration 623: trace = 2.485865455458881 (1.13673e-07% change)
- linmin: converged after 12 iterations.
- iteration 624: trace = 2.485865450855711 (1.85174e-07% change)
- linmin: converged after 28 iterations.
- iteration 625: trace = 2.485865449820198 (4.1656e-08% change)
- large trace change predicted (1.97861e-07%)
- linmin: converged after 8 iterations.
- iteration 626: trace = 2.485865444901576 (1.97864e-07% change)
- linmin: converged after 4 iterations.
- iteration 627: trace = 2.485865442227376 (1.07576e-07% change)
- linmin: converged after 3 iterations.
- iteration 628: trace = 2.48586544082506 (5.64116e-08% change)
- large trace change predicted (1.3045e-07%)
- linmin: converged after 4 iterations.
- iteration 629: trace = 2.485865437582248 (1.3045e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 630: trace = 2.48586543541829 (8.70505e-08% change)
- linmin: converged after 6 iterations.
- iteration 631: trace = 2.485865433787513 (6.5602e-08% change)
- linmin: converged after 6 iterations.
- iteration 632: trace = 2.485865430826964 (1.19095e-07% change)
- linmin: converged after 3 iterations.
- iteration 633: trace = 2.485865427173128 (1.46984e-07% change)
- linmin: converged after 22 iterations.
- iteration 634: trace = 2.485865425780974 (5.60028e-08% change)
- large trace change predicted (1.63076e-07%)
- linmin: converged after 12 iterations.
- iteration 635: trace = 2.485865421727208 (1.63073e-07% change)
- linmin: converged after 5 iterations.
- iteration 636: trace = 2.485865420716171 (4.06714e-08% change)
- linmin: converged after 8 iterations.
- iteration 637: trace = 2.485865418741218 (7.94473e-08% change)
- linmin: converged after 4 iterations.
- iteration 638: trace = 2.485865416308797 (9.78501e-08% change)
- linmin: converged after 4 iterations.
- iteration 639: trace = 2.485865415586216 (2.90676e-08% change)
- large trace change predicted (7.8939e-08%)
- linmin: converged after 3 iterations.
- iteration 640: trace = 2.485865413623912 (7.89385e-08% change)
- linmin: converged after 4 iterations.
- iteration 641: trace = 2.485865411064103 (1.02975e-07% change)
- linmin: converged after 3 iterations.
- iteration 642: trace = 2.485865409666585 (5.62186e-08% change)
- linmin: converged after 3 iterations.
- iteration 643: trace = 2.485865408621831 (4.20278e-08% change)
- large trace change predicted (1.1032e-07%)
- linmin: converged after 6 iterations.
- iteration 644: trace = 2.485865405879441 (1.10319e-07% change)
- linmin: converged after 4 iterations.
- iteration 645: trace = 2.485865404359473 (6.11444e-08% change)
- large trace change predicted (1.35969e-07%)
- linmin: converged after 7 iterations.
- iteration 646: trace = 2.485865400979491 (1.35968e-07% change)
- linmin: converged after 17 iterations.
- iteration 647: trace = 2.48586539529247 (2.28774e-07% change)
- linmin: converged after 29 iterations.
- iteration 648: trace = 2.485865393324314 (7.91739e-08% change)
- linmin: converged after 4 iterations.
- iteration 649: trace = 2.485865389599396 (1.49844e-07% change)
- linmin: converged after 4 iterations.
- iteration 650: trace = 2.48586538469004 (1.97491e-07% change)
- linmin: converged after 4 iterations.
- iteration 651: trace = 2.485865383643857 (4.20853e-08% change)
- large trace change predicted (1.66559e-07%)
- linmin: converged after 4 iterations.
- iteration 652: trace = 2.485865379503407 (1.6656e-07% change)
- linmin: converged after 3 iterations.
- iteration 653: trace = 2.485865377013683 (1.00155e-07% change)
- linmin: converged after 5 iterations.
- iteration 654: trace = 2.485865375630695 (5.5634e-08% change)
- large trace change predicted (1.67618e-07%)
- linmin: converged after 3 iterations.
- iteration 655: trace = 2.485865371463805 (1.67623e-07% change)
- linmin: converged after 4 iterations.
- iteration 656: trace = 2.485865368074782 (1.36332e-07% change)
- linmin: converged after 4 iterations.
- iteration 657: trace = 2.485865366747093 (5.34095e-08% change)
- large trace change predicted (1.17999e-07%)
- linmin: converged after 3 iterations.
- iteration 658: trace = 2.485865363813772 (1.18e-07% change)
- linmin: converged after 4 iterations.
- iteration 659: trace = 2.485865361439716 (9.55022e-08% change)
- linmin: converged after 2 iterations.
- iteration 660: trace = 2.485865359244011 (8.83276e-08% change)
- linmin: converged after 12 iterations.
- iteration 661: trace = 2.485865358233724 (4.06413e-08% change)
- large trace change predicted (1.01237e-07%)
- linmin: converged after 3 iterations.
- iteration 662: trace = 2.485865355717102 (1.01237e-07% change)
- linmin: converged after 4 iterations.
- iteration 663: trace = 2.48586535300271 (1.09193e-07% change)
- linmin: converged after 4 iterations.
- iteration 664: trace = 2.485865351824437 (4.73989e-08% change)
- large trace change predicted (1.50156e-07%)
- linmin: converged after 2 iterations.
- iteration 665: trace = 2.485865348091738 (1.50157e-07% change)
- linmin: converged after 4 iterations.
- iteration 666: trace = 2.485865345448826 (1.06318e-07% change)
- linmin: converged after 11 iterations.
- iteration 667: trace = 2.485865343746249 (6.84903e-08% change)
- large trace change predicted (1.49826e-07%)
- linmin: converged after 4 iterations.
- iteration 668: trace = 2.485865340021753 (1.49827e-07% change)
- linmin: converged after 7 iterations.
- iteration 669: trace = 2.485865339024858 (4.01025e-08% change)
- large trace change predicted (1.21677e-07%)
- linmin: converged after 22 iterations.
- iteration 670: trace = 2.485865336000082 (1.21679e-07% change)
- linmin: converged after 6 iterations.
- iteration 671: trace = 2.485865333249115 (1.10664e-07% change)
- linmin: converged after 3 iterations.
- iteration 672: trace = 2.485865331497596 (7.04591e-08% change)
- linmin: converged after 2 iterations.
- iteration 673: trace = 2.485865328692755 (1.12832e-07% change)
- linmin: converged after 17 iterations.
- iteration 674: trace = 2.485865324656489 (1.62369e-07% change)
- linmin: converged after 7 iterations.
- iteration 675: trace = 2.485865323681069 (3.92387e-08% change)
- large trace change predicted (1.06218e-07%)
- linmin: converged after 4 iterations.
- iteration 676: trace = 2.48586532104061 (1.06219e-07% change)
- linmin: converged after 4 iterations.
- iteration 677: trace = 2.485865318047731 (1.20396e-07% change)
- linmin: converged after 4 iterations.
- iteration 678: trace = 2.485865317355628 (2.78415e-08% change)
- large trace change predicted (1.01426e-07%)
- linmin: converged after 2 iterations.
- iteration 679: trace = 2.485865314834305 (1.01426e-07% change)
- linmin: converged after 3 iterations.
- iteration 680: trace = 2.485865312919978 (7.70085e-08% change)
- linmin: converged after 6 iterations.
- iteration 681: trace = 2.485865312027291 (3.59105e-08% change)
- linmin: converged after 4 iterations.
- iteration 682: trace = 2.485865310276112 (7.04454e-08% change)
- linmin: converged after 19 iterations.
- iteration 683: trace = 2.485865307493994 (1.11917e-07% change)
- linmin: converged after 4 iterations.
- iteration 684: trace = 2.485865306098545 (5.61353e-08% change)
- large trace change predicted (1.32098e-07%)
- linmin: converged after 4 iterations.
- iteration 685: trace = 2.485865302814865 (1.32094e-07% change)
- linmin: converged after 13 iterations.
- iteration 686: trace = 2.485865300026325 (1.12176e-07% change)
- linmin: converged after 3 iterations.
- iteration 687: trace = 2.485865299163148 (3.47234e-08% change)
- large trace change predicted (1.03175e-07%)
- linmin: converged after 4 iterations.
- iteration 688: trace = 2.485865296598393 (1.03174e-07% change)
- linmin: converged after 3 iterations.
- iteration 689: trace = 2.485865294306469 (9.21982e-08% change)
- linmin: converged after 5 iterations.
- iteration 690: trace = 2.485865293381978 (3.71899e-08% change)
- large trace change predicted (9.65726e-08%)
- linmin: converged after 13 iterations.
- iteration 691: trace = 2.485865290981323 (9.65722e-08% change)
- linmin: converged after 3 iterations.
- iteration 692: trace = 2.485865289201401 (7.16017e-08% change)
- linmin: converged after 3 iterations.
- iteration 693: trace = 2.485865288198151 (4.03582e-08% change)
- linmin: converged after 4 iterations.
- iteration 694: trace = 2.485865286439175 (7.07591e-08% change)
- linmin: converged after 8 iterations.
- iteration 695: trace = 2.485865283907873 (1.01828e-07% change)
- linmin: converged after 16 iterations.
- iteration 696: trace = 2.485865283583839 (1.3035e-08% change)
- large trace change predicted (5.9495e-08%)
- linmin: converged after 4 iterations.
- iteration 697: trace = 2.485865282104879 (5.94948e-08% change)
- linmin: converged after 4 iterations.
- iteration 698: trace = 2.485865280604293 (6.03648e-08% change)
- large trace change predicted (1.33776e-07%)
- linmin: converged after 4 iterations.
- iteration 699: trace = 2.485865277278877 (1.33773e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 700: trace = 2.485865274452708 (1.1369e-07% change)
- linmin: converged after 4 iterations.
- iteration 701: trace = 2.485865273109587 (5.40303e-08% change)
- linmin: converged after 2 iterations.
- iteration 702: trace = 2.485865272512046 (2.40375e-08% change)
- linmin: converged after 4 iterations.
- iteration 703: trace = 2.485865271690666 (3.3042e-08% change)
- linmin: converged after 4 iterations.
- iteration 704: trace = 2.48586527009937 (6.40137e-08% change)
- linmin: converged after 6 iterations.
- iteration 705: trace = 2.485865269650481 (1.80577e-08% change)
- large trace change predicted (6.21585e-08%)
- linmin: converged after 7 iterations.
- iteration 706: trace = 2.485865268105322 (6.21578e-08% change)
- linmin: converged after 4 iterations.
- iteration 707: trace = 2.485865266427404 (6.74984e-08% change)
- linmin: converged after 2 iterations.
- iteration 708: trace = 2.485865265636122 (3.18312e-08% change)
- linmin: converged after 16 iterations.
- iteration 709: trace = 2.485865264471996 (4.68298e-08% change)
- linmin: converged after 4 iterations.
- iteration 710: trace = 2.48586526278609 (6.78197e-08% change)
- linmin: converged after 4 iterations.
- iteration 711: trace = 2.485865262330762 (1.83167e-08% change)
- large trace change predicted (7.09122e-08%)
- linmin: converged after 7 iterations.
- iteration 712: trace = 2.48586526056796 (7.0913e-08% change)
- linmin: converged after 4 iterations.
- iteration 713: trace = 2.485865259129184 (5.78783e-08% change)
- linmin: converged after 5 iterations.
- iteration 714: trace = 2.485865258609236 (2.09162e-08% change)
- large trace change predicted (8.90484e-08%)
- linmin: converged after 5 iterations.
- iteration 715: trace = 2.485865256395566 (8.90503e-08% change)
- linmin: converged after 5 iterations.
- iteration 716: trace = 2.485865254644665 (7.04342e-08% change)
- linmin: converged after 18 iterations.
- iteration 717: trace = 2.485865254231463 (1.66221e-08% change)
- large trace change predicted (3.49756e-08%)
- linmin: converged after 6 iterations.
- iteration 718: trace = 2.485865253362014 (3.49757e-08% change)
- linmin: converged after 3 iterations.
- iteration 719: trace = 2.485865252400799 (3.86672e-08% change)
- linmin: converged after 4 iterations.
- iteration 720: trace = 2.485865252134373 (1.07176e-08% change)
- large trace change predicted (4.68321e-08%)
- linmin: converged after 4 iterations.
- iteration 721: trace = 2.485865250970197 (4.68319e-08% change)
- linmin: converged after 4 iterations.
- iteration 722: trace = 2.485865249725378 (5.00759e-08% change)
- linmin: converged after 6 iterations.
- iteration 723: trace = 2.485865249303344 (1.69774e-08% change)
- large trace change predicted (4.16707e-08%)
- linmin: converged after 4 iterations.
- iteration 724: trace = 2.485865248267469 (4.16706e-08% change)
- linmin: converged after 4 iterations.
- iteration 725: trace = 2.485865246820299 (5.82159e-08% change)
- linmin: converged after 4 iterations.
- iteration 726: trace = 2.48586524644703 (1.50157e-08% change)
- large trace change predicted (4.78694e-08%)
- linmin: converged after 9 iterations.
- iteration 727: trace = 2.485865245257072 (4.78689e-08% change)
- linmin: converged after 5 iterations.
- iteration 728: trace = 2.485865244055209 (4.83479e-08% change)
- linmin: converged after 24 iterations.
- iteration 729: trace = 2.485865243396975 (2.64791e-08% change)
- linmin: converged after 4 iterations.
- iteration 730: trace = 2.485865242756343 (2.5771e-08% change)
- linmin: converged after 8 iterations.
- iteration 731: trace = 2.485865241644774 (4.47156e-08% change)
- linmin: converged after 2 iterations.
- iteration 732: trace = 2.485865241069395 (2.3146e-08% change)
- linmin: converged after 4 iterations.
- iteration 733: trace = 2.485865240248724 (3.30135e-08% change)
- linmin: converged after 7 iterations.
- iteration 734: trace = 2.485865239042962 (4.85047e-08% change)
- linmin: converged after 4 iterations.
- iteration 735: trace = 2.48586523848481 (2.2453e-08% change)
- linmin: converged after 3 iterations.
- iteration 736: trace = 2.485865238100206 (1.54716e-08% change)
- large trace change predicted (3.4548e-08%)
- linmin: converged after 3 iterations.
- iteration 737: trace = 2.485865237241395 (3.45478e-08% change)
- linmin: converged after 20 iterations.
- iteration 738: trace = 2.485865236900455 (1.37152e-08% change)
- linmin: converged after 3 iterations.
- iteration 739: trace = 2.485865236454114 (1.79552e-08% change)
- linmin: converged after 4 iterations.
- iteration 740: trace = 2.485865235980166 (1.90657e-08% change)
- linmin: converged after 4 iterations.
- iteration 741: trace = 2.485865235703937 (1.1112e-08% change)
- large trace change predicted (2.86331e-08%)
- linmin: converged after 3 iterations.
- iteration 742: trace = 2.485865234992159 (2.8633e-08% change)
- linmin: converged after 4 iterations.
- iteration 743: trace = 2.485865233985277 (4.05043e-08% change)
- linmin: converged after 3 iterations.
- iteration 744: trace = 2.485865233754162 (9.29717e-09% change)
- large trace change predicted (3.0813e-08%)
- linmin: converged after 7 iterations.
- iteration 745: trace = 2.485865232988195 (3.08129e-08% change)
- linmin: converged after 2 iterations.
- iteration 746: trace = 2.48586523222742 (3.06041e-08% change)
- linmin: converged after 4 iterations.
- iteration 747: trace = 2.485865231670393 (2.24078e-08% change)
- linmin: converged after 2 iterations.
- iteration 748: trace = 2.485865231406732 (1.06064e-08% change)
- large trace change predicted (3.46596e-08%)
- linmin: converged after 16 iterations.
- iteration 749: trace = 2.485865230545142 (3.46596e-08% change)
- linmin: converged after 24 iterations.
- iteration 750: trace = 2.485865229954649 (2.3754e-08% change)
- linmin: converged after 3 iterations.
- iteration 751: trace = 2.485865229421019 (2.14666e-08% change)
- linmin: converged after 4 iterations.
- iteration 752: trace = 2.485865228599152 (3.30616e-08% change)
- linmin: converged after 3 iterations.
- iteration 753: trace = 2.48586522777317 (3.32271e-08% change)
- linmin: converged after 2 iterations.
- iteration 754: trace = 2.485865227627385 (5.86455e-09% change)
- large trace change predicted (2.5362e-08%)
- linmin: converged after 3 iterations.
- iteration 755: trace = 2.485865226996919 (2.5362e-08% change)
- linmin: converged after 4 iterations.
- iteration 756: trace = 2.485865226777721 (8.81777e-09% change)
- linmin: converged after 4 iterations.
- iteration 757: trace = 2.485865226608296 (6.81555e-09% change)
- linmin: converged after 2 iterations.
- iteration 758: trace = 2.4858652262888 (1.28525e-08% change)
- linmin: converged after 3 iterations.
- iteration 759: trace = 2.485865226040943 (9.97065e-09% change)
- linmin: converged after 36 iterations.
- iteration 760: trace = 2.485865225811314 (9.23738e-09% change)
- linmin: converged after 7 iterations.
- iteration 761: trace = 2.485865225440171 (1.49302e-08% change)
- linmin: converged after 4 iterations.
- iteration 762: trace = 2.485865225288361 (6.10691e-09% change)
- linmin: converged after 8 iterations.
- iteration 763: trace = 2.485865225055666 (9.36071e-09% change)
- large trace change predicted (2.08393e-08%)
- linmin: converged after 3 iterations.
- iteration 764: trace = 2.485865224537629 (2.08393e-08% change)
- linmin: converged after 4 iterations.
- iteration 765: trace = 2.485865224428886 (4.37444e-09% change)
- large trace change predicted (2.18974e-08%)
- linmin: converged after 2 iterations.
- iteration 766: trace = 2.485865223884546 (2.18974e-08% change)
- linmin: converged after 4 iterations.
- iteration 767: trace = 2.485865223528712 (1.43143e-08% change)
- linmin: converged after 19 iterations.
- iteration 768: trace = 2.485865223237374 (1.17197e-08% change)
- linmin: converged after 3 iterations.
- iteration 769: trace = 2.485865223118294 (4.79028e-09% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 770: trace = 2.485865223011 (4.31619e-09% change)
- large trace change predicted (9.04054e-09%)
- linmin: converged after 3 iterations.
- iteration 771: trace = 2.485865222786265 (9.04051e-09% change)
- linmin: converged after 3 iterations.
- iteration 772: trace = 2.485865222399922 (1.55416e-08% change)
- linmin: converged after 20 iterations.
- iteration 773: trace = 2.485865222186273 (8.59454e-09% change)
- linmin: converged after 6 iterations.
- iteration 774: trace = 2.485865221898463 (1.15779e-08% change)
- linmin: converged after 5 iterations.
- iteration 775: trace = 2.48586522146721 (1.73482e-08% change)
- linmin: converged after 3 iterations.
- iteration 776: trace = 2.485865221322491 (5.82165e-09% change)
- linmin: converged after 4 iterations.
- iteration 777: trace = 2.485865221071898 (1.00807e-08% change)
- linmin: converged after 14 iterations.
- iteration 778: trace = 2.485865220836317 (9.4768e-09% change)
- linmin: converged after 4 iterations.
- iteration 779: trace = 2.485865220740158 (3.86823e-09% change)
- large trace change predicted (1.14534e-08%)
- linmin: converged after 4 iterations.
- iteration 780: trace = 2.485865220455443 (1.14534e-08% change)
- linmin: converged after 3 iterations.
- iteration 781: trace = 2.485865220145579 (1.2465e-08% change)
- linmin: converged after 5 iterations.
- iteration 782: trace = 2.485865220056235 (3.5941e-09% change)
- large trace change predicted (7.83068e-09%)
- linmin: converged after 21 iterations.
- iteration 783: trace = 2.485865219861578 (7.83052e-09% change)
- linmin: converged after 3 iterations.
- iteration 784: trace = 2.485865219507575 (1.42406e-08% change)
- linmin: converged after 4 iterations.
- iteration 785: trace = 2.485865219385597 (4.90688e-09% change)
- large trace change predicted (2.33241e-08%)
- linmin: converged after 6 iterations.
- iteration 786: trace = 2.485865218805796 (2.33239e-08% change)
- linmin: converged after 14 iterations.
- iteration 787: trace = 2.48586521851486 (1.17036e-08% change)
- linmin: converged after 8 iterations.
- iteration 788: trace = 2.485865218115399 (1.60693e-08% change)
- linmin: converged after 5 iterations.
- iteration 789: trace = 2.485865217583654 (2.13907e-08% change)
- linmin: converged after 6 iterations.
- iteration 790: trace = 2.485865217173871 (1.64845e-08% change)
- linmin: converged after 3 iterations.
- iteration 791: trace = 2.485865216926728 (9.94194e-09% change)
- linmin: converged after 3 iterations.
- iteration 792: trace = 2.485865216527604 (1.60557e-08% change)
- linmin: converged after 4 iterations.
- iteration 793: trace = 2.48586521613341 (1.58574e-08% change)
- linmin: converged after 19 iterations.
- iteration 794: trace = 2.485865216008527 (5.02371e-09% change)
- large trace change predicted (2.05309e-08%)
- linmin: converged after 28 iterations.
- iteration 795: trace = 2.485865215498157 (2.05309e-08% change)
- linmin: converged after 3 iterations.
- iteration 796: trace = 2.485865215057126 (1.77415e-08% change)
- linmin: converged after 4 iterations.
- iteration 797: trace = 2.485865214868046 (7.60624e-09% change)
- linmin: converged after 18 iterations.
- iteration 798: trace = 2.485865214627248 (9.68667e-09% change)
- linmin: converged after 3 iterations.
- iteration 799: trace = 2.48586521436607 (1.05065e-08% change)
- linmin: converged after 5 iterations.
- iteration 800: trace = 2.485865214260306 (4.25463e-09% change)
- large trace change predicted (9.64774e-09%)
- linmin: converged after 5 iterations.
- iteration 801: trace = 2.485865214020475 (9.6478e-09% change)
- linmin: converged after 8 iterations.
- iteration 802: trace = 2.485865213660384 (1.44855e-08% change)
- linmin: converged after 18 iterations.
- iteration 803: trace = 2.485865213293775 (1.47477e-08% change)
- linmin: converged after 3 iterations.
- iteration 804: trace = 2.485865213147058 (5.90203e-09% change)
- large trace change predicted (1.40192e-08%)
- linmin: converged after 27 iterations.
- iteration 805: trace = 2.485865212798556 (1.40194e-08% change)
- linmin: converged after 23 iterations.
- iteration 806: trace = 2.485865212446051 (1.41803e-08% change)
- linmin: converged after 4 iterations.
- iteration 807: trace = 2.48586521225953 (7.50328e-09% change)
- large trace change predicted (1.82494e-08%)
- linmin: converged after 12 iterations.
- iteration 808: trace = 2.485865211805874 (1.82494e-08% change)
- linmin: converged after 19 iterations.
- iteration 809: trace = 2.48586521154175 (1.0625e-08% change)
- linmin: converged after 24 iterations.
- iteration 810: trace = 2.485865211390417 (6.08773e-09% change)
- large trace change predicted (1.64098e-08%)
- linmin: converged after 5 iterations.
- iteration 811: trace = 2.48586521098249 (1.64099e-08% change)
- linmin: converged after 4 iterations.
- iteration 812: trace = 2.485865210631671 (1.41126e-08% change)
- linmin: converged after 4 iterations.
- iteration 813: trace = 2.485865210438951 (7.75262e-09% change)
- large trace change predicted (1.78519e-08%)
- linmin: converged after 16 iterations.
- iteration 814: trace = 2.485865209995174 (1.7852e-08% change)
- linmin: converged after 4 iterations.
- iteration 815: trace = 2.485865209712896 (1.13553e-08% change)
- linmin: converged after 4 iterations.
- iteration 816: trace = 2.485865209574998 (5.54729e-09% change)
- large trace change predicted (1.42357e-08%)
- linmin: converged after 6 iterations.
- iteration 817: trace = 2.485865209221114 (1.42358e-08% change)
- linmin: converged after 2 iterations.
- iteration 818: trace = 2.485865208981652 (9.63294e-09% change)
- linmin: converged after 5 iterations.
- iteration 819: trace = 2.485865208898662 (3.3385e-09% change)
- large trace change predicted (1.07403e-08%)
- linmin: converged after 4 iterations.
- iteration 820: trace = 2.485865208631673 (1.07403e-08% change)
- linmin: converged after 7 iterations.
- iteration 821: trace = 2.485865208468182 (6.57682e-09% change)
- linmin: converged after 24 iterations.
- iteration 822: trace = 2.485865208357853 (4.43824e-09% change)
- large trace change predicted (1.4529e-08%)
- linmin: converged after 6 iterations.
- iteration 823: trace = 2.485865207996689 (1.45287e-08% change)
- linmin: converged after 4 iterations.
- iteration 824: trace = 2.485865207478519 (2.08446e-08% change)
- linmin: converged after 14 iterations.
- iteration 825: trace = 2.485865207342512 (5.47122e-09% change)
- linmin: converged after 12 iterations.
- iteration 826: trace = 2.485865207111771 (9.28211e-09% change)
- linmin: converged after 6 iterations.
- iteration 827: trace = 2.485865206773928 (1.35906e-08% change)
- linmin: converged after 28 iterations.
- iteration 828: trace = 2.485865206645257 (5.1761e-09% change)
- linmin: converged after 4 iterations.
- iteration 829: trace = 2.48586520642048 (9.04221e-09% change)
- linmin: converged after 4 iterations.
- iteration 830: trace = 2.485865206093515 (1.3153e-08% change)
- linmin: converged after 9 iterations.
- iteration 831: trace = 2.485865205921032 (6.93856e-09% change)
- linmin: converged after 12 iterations.
- iteration 832: trace = 2.485865205810471 (4.44756e-09% change)
- large trace change predicted (1.16417e-08%)
- linmin: converged after 3 iterations.
- iteration 833: trace = 2.485865205521074 (1.16417e-08% change)
- linmin: converged after 18 iterations.
- iteration 834: trace = 2.485865205456227 (2.60864e-09% change)
- large trace change predicted (9.12047e-09%)
- linmin: converged after 6 iterations.
- iteration 835: trace = 2.485865205229504 (9.12049e-09% change)
- linmin: converged after 12 iterations.
- iteration 836: trace = 2.485865205086512 (5.75221e-09% change)
- linmin: converged after 15 iterations.
- iteration 837: trace = 2.485865205035641 (2.0464e-09% change)
- large trace change predicted (7.69715e-09%)
- linmin: converged after 4 iterations.
- iteration 838: trace = 2.485865204844301 (7.69713e-09% change)
- large trace change predicted (3.31943e-08%)
- linmin: converged after 8 iterations.
- iteration 839: trace = 2.485865204019138 (3.31942e-08% change)
- resetting CG direction...
- linmin: converged after 25 iterations.
- iteration 840: trace = 2.485865203667318 (1.41529e-08% change)
- linmin: converged after 2 iterations.
- iteration 841: trace = 2.485865203254224 (1.66177e-08% change)
- linmin: converged after 26 iterations.
- iteration 842: trace = 2.485865203122991 (5.27918e-09% change)
- linmin: converged after 12 iterations.
- iteration 843: trace = 2.485865203082156 (1.64267e-09% change)
- large trace change predicted (4.71965e-09%)
- linmin: converged after 3 iterations.
- iteration 844: trace = 2.485865202964833 (4.71961e-09% change)
- linmin: converged after 19 iterations.
- iteration 845: trace = 2.485865202835416 (5.20615e-09% change)
- linmin: converged after 4 iterations.
- iteration 846: trace = 2.485865202757523 (3.13341e-09% change)
- large trace change predicted (8.64022e-09%)
- linmin: converged after 4 iterations.
- iteration 847: trace = 2.485865202542741 (8.64015e-09% change)
- linmin: converged after 8 iterations.
- iteration 848: trace = 2.485865202467049 (3.04489e-09% change)
- linmin: converged after 4 iterations.
- iteration 849: trace = 2.485865202324093 (5.75073e-09% change)
- linmin: converged after 4 iterations.
- iteration 850: trace = 2.485865202136429 (7.54926e-09% change)
- linmin: converged after 4 iterations.
- iteration 851: trace = 2.485865202063151 (2.9478e-09% change)
- linmin: converged after 4 iterations.
- iteration 852: trace = 2.485865201916832 (5.88602e-09% change)
- linmin: converged after 36 iterations.
- iteration 853: trace = 2.485865201719041 (7.95661e-09% change)
- linmin: converged after 3 iterations.
- iteration 854: trace = 2.48586520160303 (4.66685e-09% change)
- linmin: converged after 4 iterations.
- iteration 855: trace = 2.485865201522344 (3.2458e-09% change)
- large trace change predicted (9.49741e-09%)
- linmin: converged after 4 iterations.
- iteration 856: trace = 2.485865201286249 (9.4975e-09% change)
- linmin: converged after 25 iterations.
- iteration 857: trace = 2.485865201174299 (4.50346e-09% change)
- linmin: converged after 10 iterations.
- iteration 858: trace = 2.48586520109472 (3.20124e-09% change)
- linmin: converged after 19 iterations.
- iteration 859: trace = 2.485865200981267 (4.56392e-09% change)
- linmin: converged after 4 iterations.
- iteration 860: trace = 2.485865200916747 (2.59549e-09% change)
- linmin: converged after 5 iterations.
- iteration 861: trace = 2.485865200849259 (2.71484e-09% change)
- linmin: converged after 15 iterations.
- iteration 862: trace = 2.485865200718574 (5.25715e-09% change)
- linmin: converged after 3 iterations.
- iteration 863: trace = 2.485865200638832 (3.2078e-09% change)
- linmin: converged after 4 iterations.
- iteration 864: trace = 2.485865200558919 (3.21471e-09% change)
- linmin: converged after 4 iterations.
- iteration 865: trace = 2.485865200411697 (5.92234e-09% change)
- linmin: converged after 4 iterations.
- iteration 866: trace = 2.48586520028927 (4.92496e-09% change)
- linmin: converged after 25 iterations.
- iteration 867: trace = 2.485865200240234 (1.97257e-09% change)
- large trace change predicted (7.01101e-09%)
- linmin: converged after 13 iterations.
- iteration 868: trace = 2.485865200065955 (7.01079e-09% change)
- linmin: converged after 4 iterations.
- iteration 869: trace = 2.485865199934836 (5.27459e-09% change)
- linmin: converged after 16 iterations.
- iteration 870: trace = 2.485865199890833 (1.77015e-09% change)
- linmin: converged after 4 iterations.
- iteration 871: trace = 2.485865199814926 (3.05354e-09% change)
- linmin: converged after 21 iterations.
- iteration 872: trace = 2.485865199681697 (5.35944e-09% change)
- linmin: converged after 4 iterations.
- iteration 873: trace = 2.485865199636535 (1.81676e-09% change)
- large trace change predicted (4.18242e-09%)
- linmin: converged after 4 iterations.
- iteration 874: trace = 2.485865199532565 (4.18245e-09% change)
- linmin: converged after 5 iterations.
- iteration 875: trace = 2.485865199443655 (3.57663e-09% change)
- linmin: converged after 10 iterations.
- iteration 876: trace = 2.485865199402514 (1.65499e-09% change)
- large trace change predicted (3.5557e-09%)
- linmin: converged after 3 iterations.
- iteration 877: trace = 2.485865199314126 (3.55562e-09% change)
- linmin: converged after 3 iterations.
- iteration 878: trace = 2.485865199229332 (3.41104e-09% change)
- linmin: converged after 21 iterations.
- iteration 879: trace = 2.485865199200734 (1.15044e-09% change)
- linmin: converged after 9 iterations.
- iteration 880: trace = 2.485865199156711 (1.77092e-09% change)
- linmin: converged after 16 iterations.
- iteration 881: trace = 2.48586519909115 (2.63736e-09% change)
- linmin: converged after 5 iterations.
- iteration 882: trace = 2.48586519906895 (8.9305e-10% change)
- large trace change predicted (3.83822e-09%)
- linmin: converged after 3 iterations.
- iteration 883: trace = 2.48586519897354 (3.83808e-09% change)
- linmin: converged after 4 iterations.
- iteration 884: trace = 2.485865198901119 (2.91332e-09% change)
- linmin: converged after 3 iterations.
- iteration 885: trace = 2.485865198861212 (1.60535e-09% change)
- large trace change predicted (3.68247e-09%)
- linmin: converged after 6 iterations.
- iteration 886: trace = 2.485865198769671 (3.68246e-09% change)
- linmin: converged after 4 iterations.
- iteration 887: trace = 2.485865198706022 (2.56044e-09% change)
- linmin: converged after 2 iterations.
- iteration 888: trace = 2.485865198656273 (2.00128e-09% change)
- linmin: converged after 2 iterations.
- iteration 889: trace = 2.485865198614059 (1.69817e-09% change)
- large trace change predicted (3.805e-09%)
- linmin: converged after 7 iterations.
- iteration 890: trace = 2.485865198519475 (3.80487e-09% change)
- linmin: converged after 6 iterations.
- iteration 891: trace = 2.485865198489881 (1.19051e-09% change)
- large trace change predicted (3.10238e-09%)
- linmin: converged after 21 iterations.
- iteration 892: trace = 2.48586519841276 (3.10236e-09% change)
- linmin: converged after 4 iterations.
- iteration 893: trace = 2.485865198303793 (4.38345e-09% change)
- linmin: converged after 12 iterations.
- iteration 894: trace = 2.485865198269464 (1.381e-09% change)
- large trace change predicted (2.81361e-09%)
- linmin: converged after 8 iterations.
- iteration 895: trace = 2.485865198199524 (2.81349e-09% change)
- linmin: converged after 2 iterations.
- iteration 896: trace = 2.485865198136266 (2.5447e-09% change)
- linmin: converged after 8 iterations.
- iteration 897: trace = 2.485865198118605 (7.10474e-10% change)
- linmin: converged after 4 iterations.
- iteration 898: trace = 2.485865198095173 (9.42588e-10% change)
- linmin: converged after 2 iterations.
- iteration 899: trace = 2.485865198049976 (1.81818e-09% change)
- linmin: converged after 4 iterations.
- iteration 900: trace = 2.485865198011751 (1.53768e-09% change)
- linmin: converged after 4 iterations.
- iteration 901: trace = 2.485865197997444 (5.75525e-10% change)
- large trace change predicted (1.29855e-09%)
- linmin: converged after 6 iterations.
- iteration 902: trace = 2.485865197965164 (1.29854e-09% change)
- linmin: converged after 4 iterations.
- iteration 903: trace = 2.485865197929426 (1.43765e-09% change)
- linmin: converged after 5 iterations.
- iteration 904: trace = 2.485865197915947 (5.42226e-10% change)
- large trace change predicted (2.17089e-09%)
- linmin: converged after 3 iterations.
- iteration 905: trace = 2.485865197861982 (2.17087e-09% change)
- linmin: converged after 3 iterations.
- iteration 906: trace = 2.485865197821792 (1.61676e-09% change)
- linmin: converged after 4 iterations.
- iteration 907: trace = 2.485865197805183 (6.68135e-10% change)
- large trace change predicted (1.59801e-09%)
- linmin: converged after 2 iterations.
- iteration 908: trace = 2.485865197765459 (1.598e-09% change)
- linmin: converged after 6 iterations.
- iteration 909: trace = 2.485865197749646 (6.36086e-10% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 910: trace = 2.485865197740856 (3.53611e-10% change)
- large trace change predicted (1.7187e-09%)
- linmin: converged after 10 iterations.
- iteration 911: trace = 2.485865197698129 (1.71879e-09% change)
- linmin: converged after 9 iterations.
- iteration 912: trace = 2.48586519768293 (6.11415e-10% change)
- large trace change predicted (1.2979e-09%)
- linmin: converged after 6 iterations.
- iteration 913: trace = 2.485865197650669 (1.29781e-09% change)
- linmin: converged after 6 iterations.
- iteration 914: trace = 2.485865197605567 (1.81433e-09% change)
- linmin: converged after 4 iterations.
- iteration 915: trace = 2.485865197587486 (7.27356e-10% change)
- linmin: converged after 6 iterations.
- iteration 916: trace = 2.485865197563741 (9.55201e-10% change)
- linmin: converged after 9 iterations.
- iteration 917: trace = 2.48586519753317 (1.22978e-09% change)
- linmin: converged after 12 iterations.
- iteration 918: trace = 2.485865197523846 (3.75102e-10% change)
- large trace change predicted (1.24119e-09%)
- linmin: converged after 3 iterations.
- iteration 919: trace = 2.485865197492994 (1.24109e-09% change)
- linmin: converged after 4 iterations.
- iteration 920: trace = 2.485865197465914 (1.08936e-09% change)
- linmin: converged after 13 iterations.
- iteration 921: trace = 2.48586519745559 (4.15316e-10% change)
- large trace change predicted (1.615e-09%)
- linmin: converged after 12 iterations.
- iteration 922: trace = 2.48586519741544 (1.6151e-09% change)
- linmin: converged after 8 iterations.
- iteration 923: trace = 2.485865197376865 (1.55181e-09% change)
- linmin: converged after 2 iterations.
- iteration 924: trace = 2.485865197352932 (9.62758e-10% change)
- linmin: converged after 3 iterations.
- iteration 925: trace = 2.485865197324163 (1.1573e-09% change)
- large trace change predicted (2.85902e-09%)
- linmin: converged after 4 iterations.
- iteration 926: trace = 2.48586519725309 (2.85906e-09% change)
- linmin: converged after 5 iterations.
- iteration 927: trace = 2.48586519721596 (1.49364e-09% change)
- linmin: converged after 2 iterations.
- iteration 928: trace = 2.485865197160825 (2.21798e-09% change)
- linmin: converged after 10 iterations.
- iteration 929: trace = 2.48586519711066 (2.01798e-09% change)
- linmin: converged after 10 iterations.
- iteration 930: trace = 2.485865197080857 (1.19893e-09% change)
- linmin: converged after 4 iterations.
- iteration 931: trace = 2.485865197051823 (1.16793e-09% change)
- linmin: converged after 6 iterations.
- iteration 932: trace = 2.485865197001735 (2.01491e-09% change)
- linmin: converged after 2 iterations.
- iteration 933: trace = 2.485865196989136 (5.06854e-10% change)
- large trace change predicted (1.47688e-09%)
- linmin: converged after 2 iterations.
- iteration 934: trace = 2.485865196952425 (1.47679e-09% change)
- linmin: converged after 4 iterations.
- iteration 935: trace = 2.485865196902827 (1.99517e-09% change)
- linmin: converged after 7 iterations.
- iteration 936: trace = 2.485865196851753 (2.05459e-09% change)
- linmin: converged after 8 iterations.
- iteration 937: trace = 2.48586519684065 (4.4665e-10% change)
- large trace change predicted (1.59611e-09%)
- linmin: converged after 5 iterations.
- iteration 938: trace = 2.485865196800973 (1.59611e-09% change)
- linmin: converged after 6 iterations.
- iteration 939: trace = 2.485865196776445 (9.86678e-10% change)
- linmin: converged after 4 iterations.
- iteration 940: trace = 2.485865196763301 (5.28756e-10% change)
- large trace change predicted (1.395e-09%)
- linmin: converged after 21 iterations.
- iteration 941: trace = 2.485865196728622 (1.39504e-09% change)
- linmin: converged after 5 iterations.
- iteration 942: trace = 2.485865196692836 (1.4396e-09% change)
- linmin: converged after 9 iterations.
- iteration 943: trace = 2.485865196678822 (5.63734e-10% change)
- large trace change predicted (1.92272e-09%)
- linmin: converged after 6 iterations.
- iteration 944: trace = 2.485865196631027 (1.92266e-09% change)
- linmin: converged after 3 iterations.
- iteration 945: trace = 2.48586519659087 (1.61544e-09% change)
- linmin: converged after 15 iterations.
- iteration 946: trace = 2.485865196573469 (7.00005e-10% change)
- linmin: converged after 5 iterations.
- iteration 947: trace = 2.485865196541856 (1.27171e-09% change)
- linmin: converged after 4 iterations.
- iteration 948: trace = 2.485865196492666 (1.97879e-09% change)
- linmin: converged after 5 iterations.
- iteration 949: trace = 2.485865196483128 (3.8366e-10% change)
- large trace change predicted (2.18476e-09%)
- linmin: converged after 15 iterations.
- iteration 950: trace = 2.485865196428817 (2.18482e-09% change)
- linmin: converged after 11 iterations.
- iteration 951: trace = 2.485865196387631 (1.65678e-09% change)
- linmin: converged after 19 iterations.
- iteration 952: trace = 2.485865196357544 (1.21036e-09% change)
- linmin: converged after 16 iterations.
- iteration 953: trace = 2.485865196334749 (9.16971e-10% change)
- large trace change predicted (2.17164e-09%)
- linmin: converged after 22 iterations.
- iteration 954: trace = 2.485865196280763 (2.17172e-09% change)
- linmin: converged after 13 iterations.
- iteration 955: trace = 2.485865196250781 (1.20607e-09% change)
- linmin: converged after 18 iterations.
- iteration 956: trace = 2.485865196239367 (4.59173e-10% change)
- large trace change predicted (1.57246e-09%)
- linmin: converged after 22 iterations.
- iteration 957: trace = 2.485865196200279 (1.5724e-09% change)
- linmin: converged after 15 iterations.
- iteration 958: trace = 2.485865196180975 (7.76537e-10% change)
- linmin: converged after 5 iterations.
- iteration 959: trace = 2.485865196166794 (5.70487e-10% change)
- large trace change predicted (1.32415e-09%)
- linmin: converged after 5 iterations.
- iteration 960: trace = 2.48586519613388 (1.32403e-09% change)
- linmin: converged after 10 iterations.
- iteration 961: trace = 2.485865196123907 (4.01203e-10% change)
- large trace change predicted (1.03782e-09%)
- linmin: converged after 9 iterations.
- iteration 962: trace = 2.485865196098107 (1.03786e-09% change)
- linmin: converged after 4 iterations.
- iteration 963: trace = 2.485865196065699 (1.3037e-09% change)
- linmin: converged after 4 iterations.
- iteration 964: trace = 2.485865196026463 (1.57834e-09% change)
- linmin: converged after 4 iterations.
- iteration 965: trace = 2.485865196003387 (9.28297e-10% change)
- linmin: converged after 10 iterations.
- iteration 966: trace = 2.485865195962528 (1.64367e-09% change)
- linmin: converged after 18 iterations.
- iteration 967: trace = 2.48586519593037 (1.29363e-09% change)
- linmin: converged after 16 iterations.
- iteration 968: trace = 2.485865195908953 (8.61537e-10% change)
- linmin: converged after 13 iterations.
- iteration 969: trace = 2.485865195894268 (5.90746e-10% change)
- large trace change predicted (1.52047e-09%)
- linmin: converged after 11 iterations.
- iteration 970: trace = 2.485865195856473 (1.5204e-09% change)
- linmin: converged after 11 iterations.
- iteration 971: trace = 2.485865195837264 (7.7275e-10% change)
- linmin: converged after 3 iterations.
- iteration 972: trace = 2.485865195826727 (4.23855e-10% change)
- large trace change predicted (1.22732e-09%)
- linmin: converged after 27 iterations.
- iteration 973: trace = 2.485865195796214 (1.22746e-09% change)
- linmin: converged after 10 iterations.
- iteration 974: trace = 2.485865195786945 (3.72869e-10% change)
- large trace change predicted (8.918e-10%)
- linmin: converged after 24 iterations.
- iteration 975: trace = 2.485865195764775 (8.91835e-10% change)
- linmin: converged after 9 iterations.
- iteration 976: trace = 2.485865195744029 (8.34561e-10% change)
- linmin: converged after 16 iterations.
- iteration 977: trace = 2.485865195735534 (3.41749e-10% change)
- large trace change predicted (1.63922e-09%)
- linmin: converged after 2 iterations.
- iteration 978: trace = 2.485865195694783 (1.63931e-09% change)
- large trace change predicted (8.61993e-09%)
- linmin: converged after 3 iterations.
- iteration 979: trace = 2.485865195480502 (8.62e-09% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 980: trace = 2.485865195380866 (4.0081e-09% change)
- linmin: converged after 3 iterations.
- iteration 981: trace = 2.485865195310908 (2.81422e-09% change)
- linmin: converged after 4 iterations.
- iteration 982: trace = 2.485865195298332 (5.05889e-10% change)
- linmin: converged after 4 iterations.
- iteration 983: trace = 2.485865195284529 (5.55285e-10% change)
- linmin: converged after 6 iterations.
- iteration 984: trace = 2.485865195271472 (5.25218e-10% change)
- linmin: converged after 14 iterations.
- iteration 985: trace = 2.485865195264631 (2.75222e-10% change)
- linmin: converged after 6 iterations.
- iteration 986: trace = 2.485865195255348 (3.73405e-10% change)
- linmin: converged after 7 iterations.
- iteration 987: trace = 2.485865195237387 (7.22533e-10% change)
- linmin: converged after 3 iterations.
- iteration 988: trace = 2.485865195233441 (1.58727e-10% change)
- large trace change predicted (5.35532e-10%)
- linmin: converged after 15 iterations.
- iteration 989: trace = 2.485865195220129 (5.35526e-10% change)
- linmin: converged after 15 iterations.
- iteration 990: trace = 2.485865195207084 (5.24754e-10% change)
- linmin: converged after 10 iterations.
- iteration 991: trace = 2.485865195202752 (1.74269e-10% change)
- large trace change predicted (6.40452e-10%)
- linmin: converged after 15 iterations.
- iteration 992: trace = 2.485865195186831 (6.40463e-10% change)
- linmin: converged after 15 iterations.
- iteration 993: trace = 2.485865195173564 (5.33722e-10% change)
- linmin: converged after 6 iterations.
- iteration 994: trace = 2.485865195164523 (3.63687e-10% change)
- linmin: converged after 10 iterations.
- iteration 995: trace = 2.485865195155359 (3.68635e-10% change)
- linmin: converged after 22 iterations.
- iteration 996: trace = 2.485865195137432 (7.21139e-10% change)
- linmin: converged after 10 iterations.
- iteration 997: trace = 2.485865195133312 (1.65765e-10% change)
- large trace change predicted (5.98067e-10%)
- linmin: converged after 21 iterations.
- iteration 998: trace = 2.485865195118446 (5.97999e-10% change)
- linmin: converged after 12 iterations.
- iteration 999: trace = 2.485865195107226 (4.51348e-10% change)
- linmin: converged after 3 iterations.
- iteration 1000: trace = 2.485865195103003 (1.69892e-10% change)
- large trace change predicted (3.59476e-10%)
- linmin: converged after 16 iterations.
- iteration 1001: trace = 2.485865195094067 (3.59489e-10% change)
- linmin: converged after 3 iterations.
- iteration 1002: trace = 2.485865195084453 (3.86714e-10% change)
- linmin: converged after 4 iterations.
- iteration 1003: trace = 2.485865195079111 (2.14911e-10% change)
- linmin: converged after 5 iterations.
- iteration 1004: trace = 2.485865195070572 (3.435e-10% change)
- linmin: converged after 4 iterations.
- iteration 1005: trace = 2.485865195059299 (4.53474e-10% change)
- linmin: converged after 4 iterations.
- iteration 1006: trace = 2.485865195048942 (4.16638e-10% change)
- linmin: converged after 9 iterations.
- iteration 1007: trace = 2.48586519504509 (1.54975e-10% change)
- large trace change predicted (5.72838e-10%)
- linmin: converged after 4 iterations.
- iteration 1008: trace = 2.485865195030848 (5.72899e-10% change)
- linmin: converged after 3 iterations.
- iteration 1009: trace = 2.485865195025054 (2.33097e-10% change)
- linmin: converged after 5 iterations.
- iteration 1010: trace = 2.485865195018233 (2.744e-10% change)
- linmin: converged after 8 iterations.
- iteration 1011: trace = 2.485865195008758 (3.81141e-10% change)
- linmin: converged after 4 iterations.
- iteration 1012: trace = 2.485865194997796 (4.40987e-10% change)
- linmin: converged after 4 iterations.
- iteration 1013: trace = 2.485865194994954 (1.14333e-10% change)
- large trace change predicted (4.19174e-10%)
- linmin: converged after 7 iterations.
- iteration 1014: trace = 2.485865194984537 (4.19049e-10% change)
- linmin: converged after 6 iterations.
- iteration 1015: trace = 2.485865194977043 (3.01429e-10% change)
- linmin: converged after 4 iterations.
- iteration 1016: trace = 2.485865194971785 (2.11534e-10% change)
- linmin: converged after 3 iterations.
- iteration 1017: trace = 2.485865194964899 (2.77008e-10% change)
- linmin: converged after 4 iterations.
- iteration 1018: trace = 2.485865194956525 (3.36854e-10% change)
- linmin: converged after 6 iterations.
- iteration 1019: trace = 2.485865194954441 (8.38206e-11% change)
-Finished solving for bands 1 to 10 after 1019 iterations.
-tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894
-elapsed time for k point: 9.095575094223022
-solve_kpoint (0.5,0.333333,0):
-Solving for bands 1 to 10...
- linmin: converged after 6 iterations.
- iteration 1: trace = 2.624860657444398 (2.69642% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.610953324994328 (0.531239% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.601889621169397 (0.347745% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.600356646247478 (0.0589351% change)
- large trace change predicted (0.133101%)
- linmin: converged after 4 iterations.
- iteration 5: trace = 2.596948849867374 (0.131137% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 2.596372064805613 (0.0222126% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 2.595542927897237 (0.0319395% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.595152374510337 (0.0150482% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.594847404885622 (0.0117522% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.594454447741832 (0.0151449% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.594326308669367 (0.00493908% change)
- large trace change predicted (0.0216469%)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.593777335123011 (0.0211628% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.593512013071509 (0.0102297% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 2.593177865792837 (0.0128848% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 2.592759591436514 (0.0161311% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 2.592616495656834 (0.00551921% change)
- large trace change predicted (0.023475%)
- linmin: converged after 8 iterations.
- iteration 17: trace = 2.592031022028394 (0.0225849% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 2.59183881548556 (0.00741556% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 2.591510395488983 (0.0126721% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 2.591143472008585 (0.0141597% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 2.591058362290834 (0.00328469% change)
- large trace change predicted (0.0106647%)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.590787445825455 (0.0104564% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 2.590682179684191 (0.00406318% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 2.590536674665397 (0.00561663% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 2.590316049918632 (0.00851693% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 2.590262712828229 (0.00205912% change)
- large trace change predicted (0.00488962%)
- linmin: converged after 4 iterations.
- iteration 27: trace = 2.590136056658688 (0.00488982% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 2.590064081920008 (0.00277884% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 2.589966977982653 (0.00374916% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 2.589846952045266 (0.00463437% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 2.589779713799327 (0.00259626% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 2.589656148768881 (0.00477137% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 2.589592222492429 (0.00246855% change)
- large trace change predicted (0.00587392%)
- linmin: converged after 3 iterations.
- iteration 34: trace = 2.58943868885607 (0.00592905% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 2.589299359937044 (0.00538081% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 2.589151546670612 (0.00570878% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 2.588877287495618 (0.0105932% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 2.588758826838513 (0.00457586% change)
- large trace change predicted (0.0103829%)
- linmin: converged after 3 iterations.
- iteration 39: trace = 2.588487137598281 (0.0104955% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 2.588238477463922 (0.00960685% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 2.588129337514486 (0.00421685% change)
- large trace change predicted (0.00966144%)
- linmin: converged after 3 iterations.
- iteration 42: trace = 2.587877763590856 (0.00972077% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 2.587755089809354 (0.00474044% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 2.587559763088374 (0.0075484% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 2.587201412270447 (0.0138499% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 2.587078625716444 (0.00474603% change)
- large trace change predicted (0.0134465%)
- linmin: converged after 3 iterations.
- iteration 47: trace = 2.586730779580112 (0.0134464% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 2.586416677216178 (0.0121436% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 2.586172564541082 (0.0094387% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 2.585801897293217 (0.0143337% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 2.585704546876046 (0.00376488% change)
- large trace change predicted (0.00796064%)
- linmin: converged after 4 iterations.
- iteration 52: trace = 2.585499754810095 (0.00792048% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 2.585309102943152 (0.00737416% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 2.585225653328603 (0.00322789% change)
- large trace change predicted (0.00857994%)
- linmin: converged after 4 iterations.
- iteration 55: trace = 2.58500537722372 (0.00852094% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 2.584916458740381 (0.00343984% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 2.584748111302744 (0.0065129% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 2.584504284515206 (0.00943374% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 2.584418705703339 (0.00331128% change)
- large trace change predicted (0.00842828%)
- linmin: converged after 4 iterations.
- iteration 60: trace = 2.584201815731018 (0.00839257% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 2.584099141053601 (0.00397325% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 2.583934358439061 (0.00637699% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 2.583709117768531 (0.00871735% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 2.583615279669869 (0.00363198% change)
- large trace change predicted (0.00904956%)
- linmin: converged after 4 iterations.
- iteration 65: trace = 2.583383030980548 (0.00898969% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 2.583261867954656 (0.0046902% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 2.583112554586477 (0.0057802% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 2.582958454725462 (0.00596584% change)
- linmin: converged after 6 iterations.
- iteration 69: trace = 2.582869898246245 (0.00342855% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 70: trace = 2.582791283889869 (0.00304373% change)
- linmin: converged after 5 iterations.
- iteration 71: trace = 2.582689744209822 (0.00393147% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 2.582487344019194 (0.00783711% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 2.582430457572128 (0.0022028% change)
- large trace change predicted (0.00655094%)
- linmin: converged after 3 iterations.
- iteration 74: trace = 2.582260887881654 (0.0065665% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 2.582142980085108 (0.00456617% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 2.582089125320038 (0.00208568% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 2.58198944932938 (0.00386036% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 2.58194945116086 (0.00154913% change)
- linmin: converged after 3 iterations.
- iteration 79: trace = 2.581896477308379 (0.00205172% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 2.581814650966695 (0.00316928% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 2.581795133875173 (0.000755948% change)
- large trace change predicted (0.00246214%)
- linmin: converged after 3 iterations.
- iteration 82: trace = 2.581731398762597 (0.00246867% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 2.58167987346304 (0.00199579% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 2.581660431325718 (0.000753084% change)
- large trace change predicted (0.0022678%)
- linmin: converged after 3 iterations.
- iteration 85: trace = 2.581601750028335 (0.00227303% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 2.581512409884697 (0.00346071% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 2.581471275825583 (0.00159342% change)
- large trace change predicted (0.00460164%)
- linmin: converged after 3 iterations.
- iteration 88: trace = 2.581352182994358 (0.00461348% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 2.581296892688224 (0.00214194% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 2.581194672433724 (0.00396011% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 2.581064534121345 (0.00504191% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 2.58103879067474 (0.000997401% change)
- large trace change predicted (0.00403908%)
- linmin: converged after 16 iterations.
- iteration 93: trace = 2.580934670132716 (0.00403414% change)
- linmin: converged after 5 iterations.
- iteration 94: trace = 2.580892543647282 (0.00163223% change)
- linmin: converged after 4 iterations.
- iteration 95: trace = 2.580844807207762 (0.00184963% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 2.580750264376087 (0.00366332% change)
- linmin: converged after 3 iterations.
- iteration 97: trace = 2.580717916046825 (0.00125345% change)
- large trace change predicted (0.00303787%)
- linmin: converged after 6 iterations.
- iteration 98: trace = 2.58063969606942 (0.00303098% change)
- linmin: converged after 4 iterations.
- iteration 99: trace = 2.580586921966533 (0.00204502% change)
- linmin: converged after 4 iterations.
- iteration 100: trace = 2.580568719281255 (0.000705372% change)
- large trace change predicted (0.00145523%)
- linmin: converged after 4 iterations.
- iteration 101: trace = 2.580531234955007 (0.00145257% change)
- linmin: converged after 20 iterations.
- iteration 102: trace = 2.580515873601728 (0.00059528% change)
- linmin: converged after 4 iterations.
- iteration 103: trace = 2.580499665390553 (0.000628102% change)
- linmin: converged after 7 iterations.
- iteration 104: trace = 2.5804738941213 (0.000998698% change)
- linmin: converged after 3 iterations.
- iteration 105: trace = 2.580463088660485 (0.00041874% change)
- large trace change predicted (0.00115897%)
- linmin: converged after 4 iterations.
- iteration 106: trace = 2.580433222769202 (0.00115739% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 2.580404878630592 (0.00109843% change)
- linmin: converged after 3 iterations.
- iteration 108: trace = 2.580391255549352 (0.000527945% change)
- large trace change predicted (0.00162418%)
- linmin: converged after 5 iterations.
- iteration 109: trace = 2.580349416150665 (0.00162145% change)
- linmin: converged after 6 iterations.
- iteration 110: trace = 2.580298851149196 (0.00195964% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 2.580288563859734 (0.000398687% change)
- large trace change predicted (0.00143959%)
- linmin: converged after 5 iterations.
- iteration 112: trace = 2.580251458649525 (0.00143804% change)
- linmin: converged after 3 iterations.
- iteration 113: trace = 2.580236913294601 (0.00056372% change)
- linmin: converged after 4 iterations.
- iteration 114: trace = 2.58021013568223 (0.0010378% change)
- linmin: converged after 3 iterations.
- iteration 115: trace = 2.580157606216286 (0.00203588% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 2.580144732078875 (0.000498968% change)
- large trace change predicted (0.00229942%)
- linmin: converged after 3 iterations.
- iteration 117: trace = 2.580085343526398 (0.00230178% change)
- linmin: converged after 3 iterations.
- iteration 118: trace = 2.580043142878056 (0.00163564% change)
- linmin: converged after 3 iterations.
- iteration 119: trace = 2.580026198424646 (0.000656753% change)
- large trace change predicted (0.00241367%)
- linmin: converged after 3 iterations.
- iteration 120: trace = 2.579963831871476 (0.00241731% change)
- linmin: converged after 3 iterations.
- iteration 121: trace = 2.579916529139641 (0.00183348% change)
- linmin: converged after 3 iterations.
- iteration 122: trace = 2.579904068728688 (0.000482978% change)
- large trace change predicted (0.00145144%)
- linmin: converged after 3 iterations.
- iteration 123: trace = 2.579866580502305 (0.0014531% change)
- linmin: converged after 4 iterations.
- iteration 124: trace = 2.57984755203891 (0.000737578% change)
- linmin: converged after 3 iterations.
- iteration 125: trace = 2.57981631925165 (0.00121065% change)
- linmin: converged after 4 iterations.
- iteration 126: trace = 2.579774460755521 (0.00162255% change)
- linmin: converged after 3 iterations.
- iteration 127: trace = 2.579757160004375 (0.000670633% change)
- large trace change predicted (0.00192692%)
- linmin: converged after 3 iterations.
- iteration 128: trace = 2.579707451549806 (0.00192688% change)
- linmin: converged after 4 iterations.
- iteration 129: trace = 2.579655882173126 (0.00199906% change)
- linmin: converged after 5 iterations.
- iteration 130: trace = 2.579638097400106 (0.000689427% change)
- large trace change predicted (0.00175717%)
- linmin: converged after 4 iterations.
- iteration 131: trace = 2.579592848580715 (0.00175409% change)
- linmin: converged after 4 iterations.
- iteration 132: trace = 2.579574042794405 (0.000729024% change)
- linmin: converged after 3 iterations.
- iteration 133: trace = 2.579568060257632 (0.00023192% change)
- large trace change predicted (0.00172045%)
- linmin: converged after 3 iterations.
- iteration 134: trace = 2.579523651934156 (0.00172156% change)
- linmin: converged after 3 iterations.
- iteration 135: trace = 2.579512030876582 (0.000450513% change)
- linmin: converged after 3 iterations.
- iteration 136: trace = 2.579493212543738 (0.000729533% change)
- linmin: converged after 3 iterations.
- iteration 137: trace = 2.579467290316428 (0.00100494% change)
- linmin: converged after 4 iterations.
- iteration 138: trace = 2.57945943003668 (0.000304725% change)
- large trace change predicted (0.00115311%)
- linmin: converged after 4 iterations.
- iteration 139: trace = 2.57942970403997 (0.00115242% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 140: trace = 2.57941531781194 (0.000557731% change)
- linmin: converged after 4 iterations.
- iteration 141: trace = 2.579409085611241 (0.000241613% change)
- large trace change predicted (0.000491984%)
- linmin: converged after 7 iterations.
- iteration 142: trace = 2.57939639909439 (0.000491839% change)
- linmin: converged after 8 iterations.
- iteration 143: trace = 2.579388279752569 (0.000314777% change)
- linmin: converged after 3 iterations.
- iteration 144: trace = 2.579378552243709 (0.000377125% change)
- linmin: converged after 6 iterations.
- iteration 145: trace = 2.579359280246058 (0.000747159% change)
- linmin: converged after 3 iterations.
- iteration 146: trace = 2.579354515401984 (0.00018473% change)
- large trace change predicted (0.000506411%)
- linmin: converged after 8 iterations.
- iteration 147: trace = 2.579341463515056 (0.000506015% change)
- linmin: converged after 3 iterations.
- iteration 148: trace = 2.579328541119657 (0.000500997% change)
- linmin: converged after 4 iterations.
- iteration 149: trace = 2.57932162514439 (0.000268131% change)
- large trace change predicted (0.000612082%)
- linmin: converged after 3 iterations.
- iteration 150: trace = 2.579305838842733 (0.000612035% change)
- linmin: converged after 4 iterations.
- iteration 151: trace = 2.579296842491273 (0.00034879% change)
- linmin: converged after 3 iterations.
- iteration 152: trace = 2.579281595299001 (0.000591139% change)
- linmin: converged after 3 iterations.
- iteration 153: trace = 2.579262706042798 (0.000732348% change)
- linmin: converged after 4 iterations.
- iteration 154: trace = 2.579256466669243 (0.000241906% change)
- linmin: converged after 3 iterations.
- iteration 155: trace = 2.579244843842047 (0.000450628% change)
- linmin: converged after 3 iterations.
- iteration 156: trace = 2.579229499928375 (0.000594901% change)
- linmin: converged after 3 iterations.
- iteration 157: trace = 2.579225833301723 (0.00014216% change)
- large trace change predicted (0.000598052%)
- linmin: converged after 3 iterations.
- iteration 158: trace = 2.579210415829566 (0.000597758% change)
- linmin: converged after 3 iterations.
- iteration 159: trace = 2.579202872192492 (0.000292479% change)
- linmin: converged after 4 iterations.
- iteration 160: trace = 2.579194300329114 (0.000332346% change)
- linmin: converged after 3 iterations.
- iteration 161: trace = 2.579183234090278 (0.000429059% change)
- linmin: converged after 4 iterations.
- iteration 162: trace = 2.579177076317421 (0.000238749% change)
- linmin: converged after 6 iterations.
- iteration 163: trace = 2.579166583113692 (0.000406844% change)
- linmin: converged after 4 iterations.
- iteration 164: trace = 2.579150734762379 (0.000614478% change)
- linmin: converged after 3 iterations.
- iteration 165: trace = 2.579146892212581 (0.000148985% change)
- linmin: converged after 4 iterations.
- iteration 166: trace = 2.57913979939759 (0.000275007% change)
- linmin: converged after 4 iterations.
- iteration 167: trace = 2.579132919663073 (0.000266746% change)
- linmin: converged after 3 iterations.
- iteration 168: trace = 2.579130516362208 (9.31826e-05% change)
- large trace change predicted (0.000322816%)
- linmin: converged after 4 iterations.
- iteration 169: trace = 2.579122187050981 (0.000322951% change)
- linmin: converged after 3 iterations.
- iteration 170: trace = 2.579118803416007 (0.000131193% change)
- linmin: converged after 5 iterations.
- iteration 171: trace = 2.579114488093516 (0.000167318% change)
- linmin: converged after 3 iterations.
- iteration 172: trace = 2.579109064924683 (0.000210273% change)
- linmin: converged after 3 iterations.
- iteration 173: trace = 2.579106377122808 (0.000104214% change)
- linmin: converged after 10 iterations.
- iteration 174: trace = 2.579102879185829 (0.000135626% change)
- linmin: converged after 3 iterations.
- iteration 175: trace = 2.579097659114828 (0.000202399% change)
- linmin: converged after 3 iterations.
- iteration 176: trace = 2.579096401364937 (4.87671e-05% change)
- large trace change predicted (0.000221842%)
- linmin: converged after 3 iterations.
- iteration 177: trace = 2.579090674800652 (0.000222038% change)
- linmin: converged after 5 iterations.
- iteration 178: trace = 2.57908711058793 (0.000138197% change)
- linmin: converged after 4 iterations.
- iteration 179: trace = 2.579085264975734 (7.15607e-05% change)
- large trace change predicted (0.0002399%)
- linmin: converged after 3 iterations.
- iteration 180: trace = 2.579079074886856 (0.000240011% change)
- linmin: converged after 4 iterations.
- iteration 181: trace = 2.579076160976077 (0.000112983% change)
- linmin: converged after 3 iterations.
- iteration 182: trace = 2.579070757367755 (0.000209517% change)
- linmin: converged after 5 iterations.
- iteration 183: trace = 2.579062133148039 (0.000334393% change)
- linmin: converged after 3 iterations.
- iteration 184: trace = 2.579059574506094 (9.92083e-05% change)
- large trace change predicted (0.000233903%)
- linmin: converged after 3 iterations.
- iteration 185: trace = 2.579053541116616 (0.000233938% change)
- linmin: converged after 3 iterations.
- iteration 186: trace = 2.579045849975904 (0.000298216% change)
- linmin: converged after 4 iterations.
- iteration 187: trace = 2.579042501920684 (0.000129818% change)
- large trace change predicted (0.000302901%)
- linmin: converged after 5 iterations.
- iteration 188: trace = 2.579034692894698 (0.000302788% change)
- linmin: converged after 6 iterations.
- iteration 189: trace = 2.57903160921061 (0.000119567% change)
- linmin: converged after 4 iterations.
- iteration 190: trace = 2.579028621117473 (0.000115861% change)
- linmin: converged after 4 iterations.
- iteration 191: trace = 2.579022655294933 (0.000231321% change)
- linmin: converged after 13 iterations.
- iteration 192: trace = 2.579020981637274 (6.48951e-05% change)
- large trace change predicted (0.000179232%)
- linmin: converged after 18 iterations.
- iteration 193: trace = 2.579016363199398 (0.000179077% change)
- linmin: converged after 4 iterations.
- iteration 194: trace = 2.579010486487007 (0.000227867% change)
- linmin: converged after 3 iterations.
- iteration 195: trace = 2.579008983950309 (5.82602e-05% change)
- large trace change predicted (0.000143654%)
- linmin: converged after 14 iterations.
- iteration 196: trace = 2.57900528157252 (0.000143558% change)
- linmin: converged after 4 iterations.
- iteration 197: trace = 2.579001661777413 (0.000140356% change)
- linmin: converged after 5 iterations.
- iteration 198: trace = 2.579000216716951 (5.60318e-05% change)
- large trace change predicted (0.000143719%)
- linmin: converged after 12 iterations.
- iteration 199: trace = 2.578996512510935 (0.00014363% change)
- linmin: converged after 8 iterations.
- iteration 200: trace = 2.578994965206936 (5.99964e-05% change)
- large trace change predicted (0.000123383%)
- linmin: converged after 4 iterations.
- iteration 201: trace = 2.578991784702916 (0.000123323% change)
- linmin: converged after 3 iterations.
- iteration 202: trace = 2.578988673799553 (0.000120625% change)
- linmin: converged after 4 iterations.
- iteration 203: trace = 2.578987041775699 (6.32816e-05% change)
- linmin: converged after 3 iterations.
- iteration 204: trace = 2.578984245324334 (0.000108432% change)
- linmin: converged after 4 iterations.
- iteration 205: trace = 2.578979948552923 (0.000166607% change)
- linmin: converged after 4 iterations.
- iteration 206: trace = 2.578978759476258 (4.61065e-05% change)
- large trace change predicted (0.000159393%)
- linmin: converged after 4 iterations.
- iteration 207: trace = 2.578974647851428 (0.000159429% change)
- linmin: converged after 3 iterations.
- iteration 208: trace = 2.578972419690169 (8.63972e-05% change)
- linmin: converged after 3 iterations.
- iteration 209: trace = 2.578970571015978 (7.16826e-05% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 210: trace = 2.57896902314753 (6.00189e-05% change)
- linmin: converged after 2 iterations.
- iteration 211: trace = 2.578967699428833 (5.13275e-05% change)
- linmin: converged after 3 iterations.
- iteration 212: trace = 2.578965531619185 (8.40573e-05% change)
- linmin: converged after 9 iterations.
- iteration 213: trace = 2.578964903233052 (2.43658e-05% change)
- large trace change predicted (8.68719e-05%)
- linmin: converged after 3 iterations.
- iteration 214: trace = 2.578962661795469 (8.69123e-05% change)
- linmin: converged after 4 iterations.
- iteration 215: trace = 2.578960794964922 (7.23869e-05% change)
- linmin: converged after 3 iterations.
- iteration 216: trace = 2.578959973956169 (3.18349e-05% change)
- large trace change predicted (7.41753e-05%)
- linmin: converged after 3 iterations.
- iteration 217: trace = 2.57895806063757 (7.41896e-05% change)
- linmin: converged after 5 iterations.
- iteration 218: trace = 2.578956698729991 (5.28085e-05% change)
- linmin: converged after 3 iterations.
- iteration 219: trace = 2.578955032234949 (6.4619e-05% change)
- linmin: converged after 4 iterations.
- iteration 220: trace = 2.578953249304644 (6.91339e-05% change)
- linmin: converged after 3 iterations.
- iteration 221: trace = 2.578952763190909 (1.88493e-05% change)
- large trace change predicted (5.94239e-05%)
- linmin: converged after 5 iterations.
- iteration 222: trace = 2.578951230285838 (5.94391e-05% change)
- linmin: converged after 3 iterations.
- iteration 223: trace = 2.5789495749286 (6.41872e-05% change)
- linmin: converged after 3 iterations.
- iteration 224: trace = 2.578948997883961 (2.23752e-05% change)
- large trace change predicted (7.62976e-05%)
- linmin: converged after 4 iterations.
- iteration 225: trace = 2.578947029685699 (7.63179e-05% change)
- linmin: converged after 4 iterations.
- iteration 226: trace = 2.578944779675347 (8.72453e-05% change)
- linmin: converged after 3 iterations.
- iteration 227: trace = 2.578944139618348 (2.48186e-05% change)
- large trace change predicted (0.000104966%)
- linmin: converged after 4 iterations.
- iteration 228: trace = 2.57894143165448 (0.000105003% change)
- linmin: converged after 3 iterations.
- iteration 229: trace = 2.578940084552484 (5.22347e-05% change)
- linmin: converged after 3 iterations.
- iteration 230: trace = 2.578938669210328 (5.48808e-05% change)
- linmin: converged after 3 iterations.
- iteration 231: trace = 2.578936271851268 (9.29592e-05% change)
- linmin: converged after 3 iterations.
- iteration 232: trace = 2.578935689729847 (2.25722e-05% change)
- large trace change predicted (8.28239e-05%)
- linmin: converged after 2 iterations.
- iteration 233: trace = 2.578933553755356 (8.28239e-05% change)
- linmin: converged after 3 iterations.
- iteration 234: trace = 2.578932277588847 (4.94843e-05% change)
- linmin: converged after 5 iterations.
- iteration 235: trace = 2.578931558308749 (2.78906e-05% change)
- large trace change predicted (6.9119e-05%)
- linmin: converged after 3 iterations.
- iteration 236: trace = 2.578929775938617 (6.91128e-05% change)
- linmin: converged after 7 iterations.
- iteration 237: trace = 2.578927681915258 (8.11974e-05% change)
- linmin: converged after 2 iterations.
- iteration 238: trace = 2.578927307360245 (1.45237e-05% change)
- large trace change predicted (7.6634e-05%)
- linmin: converged after 3 iterations.
- iteration 239: trace = 2.578925332207012 (7.65882e-05% change)
- linmin: converged after 2 iterations.
- iteration 240: trace = 2.578924470717827 (3.3405e-05% change)
- linmin: converged after 3 iterations.
- iteration 241: trace = 2.578923849846243 (2.40748e-05% change)
- large trace change predicted (4.95985e-05%)
- linmin: converged after 3 iterations.
- iteration 242: trace = 2.57892257127596 (4.95777e-05% change)
- linmin: converged after 7 iterations.
- iteration 243: trace = 2.578922283815265 (1.11465e-05% change)
- large trace change predicted (3.21426e-05%)
- linmin: converged after 5 iterations.
- iteration 244: trace = 2.578921455034727 (3.21367e-05% change)
- linmin: converged after 3 iterations.
- iteration 245: trace = 2.578920602831324 (3.3045e-05% change)
- linmin: converged after 2 iterations.
- iteration 246: trace = 2.578920339575498 (1.0208e-05% change)
- large trace change predicted (3.17353e-05%)
- linmin: converged after 5 iterations.
- iteration 247: trace = 2.578919521243326 (3.17316e-05% change)
- linmin: converged after 3 iterations.
- iteration 248: trace = 2.578918601641423 (3.56584e-05% change)
- linmin: converged after 2 iterations.
- iteration 249: trace = 2.578918151881921 (1.74399e-05% change)
- large trace change predicted (5.12963e-05%)
- linmin: converged after 3 iterations.
- iteration 250: trace = 2.578916829132448 (5.12909e-05% change)
- linmin: converged after 3 iterations.
- iteration 251: trace = 2.578916299272354 (2.05458e-05% change)
- linmin: converged after 3 iterations.
- iteration 252: trace = 2.57891562054581 (2.63183e-05% change)
- linmin: converged after 5 iterations.
- iteration 253: trace = 2.578914731096893 (3.44893e-05% change)
- linmin: converged after 4 iterations.
- iteration 254: trace = 2.578913679451401 (4.07786e-05% change)
- linmin: converged after 4 iterations.
- iteration 255: trace = 2.578913266686216 (1.60054e-05% change)
- large trace change predicted (5.40277e-05%)
- linmin: converged after 3 iterations.
- iteration 256: trace = 2.578911873026465 (5.40406e-05% change)
- linmin: converged after 4 iterations.
- iteration 257: trace = 2.578911480189724 (1.52327e-05% change)
- large trace change predicted (3.39854e-05%)
- linmin: converged after 3 iterations.
- iteration 258: trace = 2.578910603653624 (3.39886e-05% change)
- linmin: converged after 3 iterations.
- iteration 259: trace = 2.578909348090638 (4.86858e-05% change)
- linmin: converged after 3 iterations.
- iteration 260: trace = 2.578909011721332 (1.30431e-05% change)
- large trace change predicted (6.38916e-05%)
- linmin: converged after 4 iterations.
- iteration 261: trace = 2.578907363961063 (6.38937e-05% change)
- linmin: converged after 3 iterations.
- iteration 262: trace = 2.578906388890173 (3.78095e-05% change)
- linmin: converged after 4 iterations.
- iteration 263: trace = 2.578905971315756 (1.61919e-05% change)
- large trace change predicted (3.76844e-05%)
- linmin: converged after 4 iterations.
- iteration 264: trace = 2.578904999335657 (3.76896e-05% change)
- linmin: converged after 3 iterations.
- iteration 265: trace = 2.578904108376322 (3.4548e-05% change)
- linmin: converged after 3 iterations.
- iteration 266: trace = 2.578903851990263 (9.94167e-06% change)
- large trace change predicted (4.4242e-05%)
- linmin: converged after 5 iterations.
- iteration 267: trace = 2.578902711252484 (4.42334e-05% change)
- linmin: converged after 4 iterations.
- iteration 268: trace = 2.578902248812526 (1.79317e-05% change)
- linmin: converged after 4 iterations.
- iteration 269: trace = 2.578901705804483 (2.10558e-05% change)
- linmin: converged after 4 iterations.
- iteration 270: trace = 2.578900843404065 (3.34406e-05% change)
- linmin: converged after 7 iterations.
- iteration 271: trace = 2.578900645666602 (7.66751e-06% change)
- large trace change predicted (2.45719e-05%)
- linmin: converged after 8 iterations.
- iteration 272: trace = 2.578900011973643 (2.45722e-05% change)
- linmin: converged after 4 iterations.
- iteration 273: trace = 2.578899334407352 (2.62735e-05% change)
- linmin: converged after 3 iterations.
- iteration 274: trace = 2.578899123706742 (8.17018e-06% change)
- large trace change predicted (2.61149e-05%)
- linmin: converged after 3 iterations.
- iteration 275: trace = 2.578898450209252 (2.61157e-05% change)
- linmin: converged after 3 iterations.
- iteration 276: trace = 2.578898213822447 (9.16619e-06% change)
- linmin: converged after 14 iterations.
- iteration 277: trace = 2.578897848535566 (1.41645e-05% change)
- linmin: converged after 4 iterations.
- iteration 278: trace = 2.578897259488174 (2.28411e-05% change)
- linmin: converged after 4 iterations.
- iteration 279: trace = 2.578896697811086 (2.17797e-05% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 280: trace = 2.578896241973919 (1.76757e-05% change)
- linmin: converged after 4 iterations.
- iteration 281: trace = 2.578895843061092 (1.54684e-05% change)
- linmin: converged after 3 iterations.
- iteration 282: trace = 2.578895612515214 (8.93971e-06% change)
- linmin: converged after 4 iterations.
- iteration 283: trace = 2.57889544199031 (6.61232e-06% change)
- large trace change predicted (1.71937e-05%)
- linmin: converged after 4 iterations.
- iteration 284: trace = 2.578894998612311 (1.71926e-05% change)
- linmin: converged after 3 iterations.
- iteration 285: trace = 2.57889486052752 (5.35442e-06% change)
- large trace change predicted (1.5317e-05%)
- linmin: converged after 3 iterations.
- iteration 286: trace = 2.57889446553857 (1.53162e-05% change)
- linmin: converged after 3 iterations.
- iteration 287: trace = 2.578894068100964 (1.54112e-05% change)
- linmin: converged after 3 iterations.
- iteration 288: trace = 2.578893959325635 (4.21791e-06% change)
- large trace change predicted (1.5865e-05%)
- linmin: converged after 3 iterations.
- iteration 289: trace = 2.578893550266271 (1.58618e-05% change)
- linmin: converged after 4 iterations.
- iteration 290: trace = 2.578893308053489 (9.39212e-06% change)
- linmin: converged after 3 iterations.
- iteration 291: trace = 2.578893087859599 (8.53831e-06% change)
- linmin: converged after 3 iterations.
- iteration 292: trace = 2.578892655646249 (1.67596e-05% change)
- linmin: converged after 3 iterations.
- iteration 293: trace = 2.578892511129264 (5.60384e-06% change)
- large trace change predicted (1.17002e-05%)
- linmin: converged after 4 iterations.
- iteration 294: trace = 2.578892209452875 (1.16979e-05% change)
- linmin: converged after 3 iterations.
- iteration 295: trace = 2.578891800121638 (1.58724e-05% change)
- linmin: converged after 3 iterations.
- iteration 296: trace = 2.57889160628186 (7.5164e-06% change)
- linmin: converged after 5 iterations.
- iteration 297: trace = 2.578891228850099 (1.46354e-05% change)
- linmin: converged after 13 iterations.
- iteration 298: trace = 2.578890717163789 (1.98413e-05% change)
- linmin: converged after 2 iterations.
- iteration 299: trace = 2.578890539719477 (6.88065e-06% change)
- linmin: converged after 4 iterations.
- iteration 300: trace = 2.578890290483081 (9.66448e-06% change)
- linmin: converged after 3 iterations.
- iteration 301: trace = 2.578889961525526 (1.27558e-05% change)
- linmin: converged after 4 iterations.
- iteration 302: trace = 2.578889887795748 (2.85897e-06% change)
- large trace change predicted (1.27063e-05%)
- linmin: converged after 3 iterations.
- iteration 303: trace = 2.578889560151664 (1.27049e-05% change)
- linmin: converged after 3 iterations.
- iteration 304: trace = 2.578889337352475 (8.63935e-06% change)
- linmin: converged after 2 iterations.
- iteration 305: trace = 2.578889244576347 (3.59752e-06% change)
- large trace change predicted (9.01151e-06%)
- linmin: converged after 4 iterations.
- iteration 306: trace = 2.578889012208811 (9.01037e-06% change)
- linmin: converged after 2 iterations.
- iteration 307: trace = 2.578888788603815 (8.67059e-06% change)
- linmin: converged after 3 iterations.
- iteration 308: trace = 2.578888709944779 (3.05011e-06% change)
- large trace change predicted (1.0041e-05%)
- linmin: converged after 3 iterations.
- iteration 309: trace = 2.578888450987346 (1.00414e-05% change)
- linmin: converged after 3 iterations.
- iteration 310: trace = 2.578888326266121 (4.83624e-06% change)
- linmin: converged after 2 iterations.
- iteration 311: trace = 2.578888201279482 (4.84653e-06% change)
- linmin: converged after 3 iterations.
- iteration 312: trace = 2.578888028533574 (6.69846e-06% change)
- linmin: converged after 4 iterations.
- iteration 313: trace = 2.578887961707215 (2.59129e-06% change)
- linmin: converged after 3 iterations.
- iteration 314: trace = 2.57888784886548 (4.3756e-06% change)
- linmin: converged after 4 iterations.
- iteration 315: trace = 2.578887685046229 (6.35232e-06% change)
- linmin: converged after 3 iterations.
- iteration 316: trace = 2.578887643012387 (1.62992e-06% change)
- large trace change predicted (6.51603e-06%)
- linmin: converged after 5 iterations.
- iteration 317: trace = 2.578887474954171 (6.51669e-06% change)
- linmin: converged after 4 iterations.
- iteration 318: trace = 2.578887311670011 (6.33157e-06% change)
- linmin: converged after 10 iterations.
- iteration 319: trace = 2.57888724960782 (2.40655e-06% change)
- large trace change predicted (1.01267e-05%)
- linmin: converged after 3 iterations.
- iteration 320: trace = 2.578886988427016 (1.01277e-05% change)
- linmin: converged after 3 iterations.
- iteration 321: trace = 2.578886935954951 (2.03468e-06% change)
- large trace change predicted (7.67331e-06%)
- linmin: converged after 3 iterations.
- iteration 322: trace = 2.578886738058058 (7.67373e-06% change)
- linmin: converged after 2 iterations.
- iteration 323: trace = 2.578886588366594 (5.8045e-06% change)
- linmin: converged after 3 iterations.
- iteration 324: trace = 2.578886529103038 (2.29803e-06% change)
- large trace change predicted (6.21405e-06%)
- linmin: converged after 5 iterations.
- iteration 325: trace = 2.578886368852701 (6.21394e-06% change)
- linmin: converged after 3 iterations.
- iteration 326: trace = 2.578886158990578 (8.1377e-06% change)
- linmin: converged after 3 iterations.
- iteration 327: trace = 2.578886035712026 (4.7803e-06% change)
- linmin: converged after 4 iterations.
- iteration 328: trace = 2.578885939372719 (3.73569e-06% change)
- linmin: converged after 4 iterations.
- iteration 329: trace = 2.578885788817776 (5.83798e-06% change)
- linmin: converged after 3 iterations.
- iteration 330: trace = 2.578885732387192 (2.18818e-06% change)
- large trace change predicted (6.23893e-06%)
- linmin: converged after 4 iterations.
- iteration 331: trace = 2.578885571515369 (6.23804e-06% change)
- linmin: converged after 3 iterations.
- iteration 332: trace = 2.578885448289417 (4.77826e-06% change)
- linmin: converged after 5 iterations.
- iteration 333: trace = 2.578885392876492 (2.14872e-06% change)
- large trace change predicted (5.54789e-06%)
- linmin: converged after 11 iterations.
- iteration 334: trace = 2.578885249821361 (5.54717e-06% change)
- linmin: converged after 3 iterations.
- iteration 335: trace = 2.578885206103884 (1.69521e-06% change)
- linmin: converged after 4 iterations.
- iteration 336: trace = 2.578885136710719 (2.69082e-06% change)
- linmin: converged after 4 iterations.
- iteration 337: trace = 2.578885050046726 (3.36052e-06% change)
- linmin: converged after 5 iterations.
- iteration 338: trace = 2.578884959998245 (3.49176e-06% change)
- linmin: converged after 7 iterations.
- iteration 339: trace = 2.578884938076271 (8.50056e-07% change)
- large trace change predicted (4.49268e-06%)
- linmin: converged after 5 iterations.
- iteration 340: trace = 2.57888482222907 (4.49214e-06% change)
- linmin: converged after 3 iterations.
- iteration 341: trace = 2.578884771013445 (1.98596e-06% change)
- linmin: converged after 8 iterations.
- iteration 342: trace = 2.578884704013924 (2.598e-06% change)
- linmin: converged after 3 iterations.
- iteration 343: trace = 2.578884608043694 (3.72139e-06% change)
- linmin: converged after 3 iterations.
- iteration 344: trace = 2.578884568228974 (1.54387e-06% change)
- large trace change predicted (3.5061e-06%)
- linmin: converged after 3 iterations.
- iteration 345: trace = 2.578884477813926 (3.50598e-06% change)
- linmin: converged after 32 iterations.
- iteration 346: trace = 2.57888440816081 (2.7009e-06% change)
- linmin: converged after 3 iterations.
- iteration 347: trace = 2.578884377325902 (1.19567e-06% change)
- large trace change predicted (2.95992e-06%)
- linmin: converged after 2 iterations.
- iteration 348: trace = 2.578884300992386 (2.95994e-06% change)
- linmin: converged after 4 iterations.
- iteration 349: trace = 2.578884199370362 (3.94054e-06% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 350: trace = 2.578884116659355 (3.20724e-06% change)
- linmin: converged after 15 iterations.
- iteration 351: trace = 2.578884058645616 (2.24957e-06% change)
- linmin: converged after 2 iterations.
- iteration 352: trace = 2.578884036464944 (8.60088e-07% change)
- large trace change predicted (2.03024e-06%)
- linmin: converged after 17 iterations.
- iteration 353: trace = 2.578883984105725 (2.03031e-06% change)
- linmin: converged after 2 iterations.
- iteration 354: trace = 2.578883927608765 (2.19075e-06% change)
- linmin: converged after 5 iterations.
- iteration 355: trace = 2.57888390014904 (1.06479e-06% change)
- large trace change predicted (2.37462e-06%)
- linmin: converged after 3 iterations.
- iteration 356: trace = 2.578883838906447 (2.37477e-06% change)
- linmin: converged after 2 iterations.
- iteration 357: trace = 2.5788837970657 (1.62244e-06% change)
- linmin: converged after 30 iterations.
- iteration 358: trace = 2.57888376807427 (1.12419e-06% change)
- linmin: converged after 3 iterations.
- iteration 359: trace = 2.578883713670522 (2.10959e-06% change)
- linmin: converged after 3 iterations.
- iteration 360: trace = 2.578883701399795 (4.75815e-07% change)
- large trace change predicted (1.552e-06%)
- linmin: converged after 3 iterations.
- iteration 361: trace = 2.578883661374154 (1.55205e-06% change)
- linmin: converged after 2 iterations.
- iteration 362: trace = 2.578883615165985 (1.79179e-06% change)
- linmin: converged after 2 iterations.
- iteration 363: trace = 2.578883599986654 (5.88601e-07% change)
- large trace change predicted (1.47467e-06%)
- linmin: converged after 21 iterations.
- iteration 364: trace = 2.578883561955101 (1.47473e-06% change)
- linmin: converged after 3 iterations.
- iteration 365: trace = 2.578883499786162 (2.41069e-06% change)
- linmin: converged after 6 iterations.
- iteration 366: trace = 2.578883473259338 (1.02862e-06% change)
- large trace change predicted (2.16324e-06%)
- linmin: converged after 3 iterations.
- iteration 367: trace = 2.57888341746973 (2.16332e-06% change)
- linmin: converged after 12 iterations.
- iteration 368: trace = 2.578883362803683 (2.11976e-06% change)
- linmin: converged after 3 iterations.
- iteration 369: trace = 2.578883331312625 (1.22111e-06% change)
- linmin: converged after 3 iterations.
- iteration 370: trace = 2.578883278096646 (2.06353e-06% change)
- linmin: converged after 2 iterations.
- iteration 371: trace = 2.578883232301224 (1.77579e-06% change)
- linmin: converged after 4 iterations.
- iteration 372: trace = 2.578883193866086 (1.49038e-06% change)
- linmin: converged after 3 iterations.
- iteration 373: trace = 2.578883128458537 (2.53627e-06% change)
- linmin: converged after 6 iterations.
- iteration 374: trace = 2.578883113782989 (5.69066e-07% change)
- large trace change predicted (1.66165e-06%)
- linmin: converged after 5 iterations.
- iteration 375: trace = 2.578883070932626 (1.66159e-06% change)
- linmin: converged after 11 iterations.
- iteration 376: trace = 2.578883018716562 (2.02476e-06% change)
- linmin: converged after 6 iterations.
- iteration 377: trace = 2.578882970182465 (1.88198e-06% change)
- linmin: converged after 9 iterations.
- iteration 378: trace = 2.578882952350625 (6.91456e-07% change)
- large trace change predicted (2.05739e-06%)
- linmin: converged after 3 iterations.
- iteration 379: trace = 2.578882899296014 (2.05727e-06% change)
- linmin: converged after 10 iterations.
- iteration 380: trace = 2.578882881506566 (6.89812e-07% change)
- linmin: converged after 4 iterations.
- iteration 381: trace = 2.578882853475612 (1.08694e-06% change)
- linmin: converged after 27 iterations.
- iteration 382: trace = 2.578882815943033 (1.45538e-06% change)
- linmin: converged after 5 iterations.
- iteration 383: trace = 2.578882806889427 (3.51067e-07% change)
- large trace change predicted (1.06703e-06%)
- linmin: converged after 4 iterations.
- iteration 384: trace = 2.578882779372916 (1.06699e-06% change)
- linmin: converged after 3 iterations.
- iteration 385: trace = 2.578882755527427 (9.24644e-07% change)
- linmin: converged after 3 iterations.
- iteration 386: trace = 2.578882744525212 (4.26627e-07% change)
- large trace change predicted (1.01891e-06%)
- linmin: converged after 3 iterations.
- iteration 387: trace = 2.578882718249225 (1.01889e-06% change)
- linmin: converged after 2 iterations.
- iteration 388: trace = 2.578882703063015 (5.88868e-07% change)
- linmin: converged after 4 iterations.
- iteration 389: trace = 2.578882679998177 (8.94373e-07% change)
- linmin: converged after 17 iterations.
- iteration 390: trace = 2.578882640629375 (1.52658e-06% change)
- linmin: converged after 4 iterations.
- iteration 391: trace = 2.578882633940746 (2.59362e-07% change)
- large trace change predicted (1.42673e-06%)
- linmin: converged after 4 iterations.
- iteration 392: trace = 2.578882597146995 (1.42673e-06% change)
- linmin: converged after 2 iterations.
- iteration 393: trace = 2.578882569518502 (1.07134e-06% change)
- linmin: converged after 3 iterations.
- iteration 394: trace = 2.578882553965367 (6.03096e-07% change)
- linmin: converged after 2 iterations.
- iteration 395: trace = 2.578882530776598 (8.99179e-07% change)
- linmin: converged after 5 iterations.
- iteration 396: trace = 2.578882500050447 (1.19145e-06% change)
- linmin: converged after 6 iterations.
- iteration 397: trace = 2.578882489042851 (4.26836e-07% change)
- large trace change predicted (1.115e-06%)
- linmin: converged after 3 iterations.
- iteration 398: trace = 2.578882460288019 (1.11501e-06% change)
- linmin: converged after 2 iterations.
- iteration 399: trace = 2.578882432897072 (1.06212e-06% change)
- linmin: converged after 4 iterations.
- iteration 400: trace = 2.578882421877958 (4.27283e-07% change)
- large trace change predicted (1.64314e-06%)
- linmin: converged after 2 iterations.
- iteration 401: trace = 2.578882379502339 (1.64318e-06% change)
- linmin: converged after 3 iterations.
- iteration 402: trace = 2.578882367864802 (4.51263e-07% change)
- large trace change predicted (1.12085e-06%)
- linmin: converged after 8 iterations.
- iteration 403: trace = 2.578882338957688 (1.12092e-06% change)
- linmin: converged after 5 iterations.
- iteration 404: trace = 2.578882310266573 (1.11254e-06% change)
- linmin: converged after 2 iterations.
- iteration 405: trace = 2.578882300352086 (3.84449e-07% change)
- linmin: converged after 2 iterations.
- iteration 406: trace = 2.578882283079114 (6.69785e-07% change)
- linmin: converged after 3 iterations.
- iteration 407: trace = 2.578882259177726 (9.26812e-07% change)
- linmin: converged after 5 iterations.
- iteration 408: trace = 2.578882247956715 (4.35111e-07% change)
- linmin: converged after 3 iterations.
- iteration 409: trace = 2.57888223444814 (5.23815e-07% change)
- linmin: converged after 3 iterations.
- iteration 410: trace = 2.578882212189181 (8.63124e-07% change)
- linmin: converged after 12 iterations.
- iteration 411: trace = 2.578882206515553 (2.20003e-07% change)
- large trace change predicted (6.59205e-07%)
- linmin: converged after 2 iterations.
- iteration 412: trace = 2.578882189515412 (6.59206e-07% change)
- linmin: converged after 16 iterations.
- iteration 413: trace = 2.578882167133094 (8.67908e-07% change)
- linmin: converged after 20 iterations.
- iteration 414: trace = 2.578882162543898 (1.77953e-07% change)
- large trace change predicted (7.20905e-07%)
- linmin: converged after 13 iterations.
- iteration 415: trace = 2.578882143952733 (7.209e-07% change)
- linmin: converged after 3 iterations.
- iteration 416: trace = 2.578882138199545 (2.23088e-07% change)
- linmin: converged after 2 iterations.
- iteration 417: trace = 2.578882128500576 (3.76092e-07% change)
- linmin: converged after 2 iterations.
- iteration 418: trace = 2.578882115845795 (4.90708e-07% change)
- linmin: converged after 20 iterations.
- iteration 419: trace = 2.57888211063133 (2.02199e-07% change)
- resetting CG direction...
- linmin: converged after 16 iterations.
- iteration 420: trace = 2.578882105624677 (1.9414e-07% change)
- large trace change predicted (4.22431e-07%)
- linmin: converged after 3 iterations.
- iteration 421: trace = 2.578882094730754 (4.22428e-07% change)
- linmin: converged after 3 iterations.
- iteration 422: trace = 2.57888208676304 (3.0896e-07% change)
- linmin: converged after 9 iterations.
- iteration 423: trace = 2.578882082194057 (1.77169e-07% change)
- large trace change predicted (5.53253e-07%)
- linmin: converged after 3 iterations.
- iteration 424: trace = 2.578882067926347 (5.53252e-07% change)
- linmin: converged after 6 iterations.
- iteration 425: trace = 2.57888206455133 (1.30871e-07% change)
- large trace change predicted (5.55757e-07%)
- linmin: converged after 4 iterations.
- iteration 426: trace = 2.578882050219244 (5.55748e-07% change)
- linmin: converged after 22 iterations.
- iteration 427: trace = 2.578882039301253 (4.23361e-07% change)
- linmin: converged after 29 iterations.
- iteration 428: trace = 2.578882035916876 (1.31234e-07% change)
- large trace change predicted (4.92629e-07%)
- linmin: converged after 16 iterations.
- iteration 429: trace = 2.578882023212756 (4.92621e-07% change)
- linmin: converged after 2 iterations.
- iteration 430: trace = 2.578882016030413 (2.78506e-07% change)
- linmin: converged after 4 iterations.
- iteration 431: trace = 2.57888201061992 (2.098e-07% change)
- large trace change predicted (4.41943e-07%)
- linmin: converged after 5 iterations.
- iteration 432: trace = 2.578881999222959 (4.41934e-07% change)
- linmin: converged after 9 iterations.
- iteration 433: trace = 2.578881990164549 (3.51253e-07% change)
- linmin: converged after 3 iterations.
- iteration 434: trace = 2.578881985954999 (1.63232e-07% change)
- large trace change predicted (4.93198e-07%)
- linmin: converged after 5 iterations.
- iteration 435: trace = 2.578881973236215 (4.9319e-07% change)
- linmin: converged after 20 iterations.
- iteration 436: trace = 2.578881962807785 (4.04378e-07% change)
- linmin: converged after 4 iterations.
- iteration 437: trace = 2.578881957293434 (2.13827e-07% change)
- large trace change predicted (5.69584e-07%)
- linmin: converged after 20 iterations.
- iteration 438: trace = 2.57888194260472 (5.69577e-07% change)
- linmin: converged after 3 iterations.
- iteration 439: trace = 2.578881938537754 (1.57703e-07% change)
- large trace change predicted (3.27811e-07%)
- linmin: converged after 8 iterations.
- iteration 440: trace = 2.578881930083957 (3.27809e-07% change)
- linmin: converged after 10 iterations.
- iteration 441: trace = 2.578881920162149 (3.84733e-07% change)
- linmin: converged after 3 iterations.
- iteration 442: trace = 2.578881912464808 (2.98476e-07% change)
- linmin: converged after 11 iterations.
- iteration 443: trace = 2.578881908075124 (1.70217e-07% change)
- linmin: converged after 4 iterations.
- iteration 444: trace = 2.578881900367723 (2.98866e-07% change)
- linmin: converged after 3 iterations.
- iteration 445: trace = 2.57888189572206 (1.80143e-07% change)
- linmin: converged after 3 iterations.
- iteration 446: trace = 2.578881890744253 (1.93022e-07% change)
- linmin: converged after 2 iterations.
- iteration 447: trace = 2.578881881909399 (3.42585e-07% change)
- linmin: converged after 4 iterations.
- iteration 448: trace = 2.578881880018332 (7.33289e-08% change)
- large trace change predicted (2.81432e-07%)
- linmin: converged after 3 iterations.
- iteration 449: trace = 2.578881872760469 (2.81434e-07% change)
- linmin: converged after 2 iterations.
- iteration 450: trace = 2.57888186673831 (2.33518e-07% change)
- linmin: converged after 4 iterations.
- iteration 451: trace = 2.5788818639563 (1.07877e-07% change)
- linmin: converged after 4 iterations.
- iteration 452: trace = 2.578881859993886 (1.53649e-07% change)
- linmin: converged after 9 iterations.
- iteration 453: trace = 2.578881854783525 (2.0204e-07% change)
- linmin: converged after 4 iterations.
- iteration 454: trace = 2.578881853007518 (6.88673e-08% change)
- large trace change predicted (1.52945e-07%)
- linmin: converged after 4 iterations.
- iteration 455: trace = 2.578881849063212 (1.52946e-07% change)
- linmin: converged after 16 iterations.
- iteration 456: trace = 2.578881843086535 (2.31755e-07% change)
- linmin: converged after 7 iterations.
- iteration 457: trace = 2.57888183978997 (1.27829e-07% change)
- linmin: converged after 7 iterations.
- iteration 458: trace = 2.578881835958173 (1.48584e-07% change)
- linmin: converged after 3 iterations.
- iteration 459: trace = 2.578881828467651 (2.90456e-07% change)
- linmin: converged after 3 iterations.
- iteration 460: trace = 2.578881827035234 (5.55441e-08% change)
- large trace change predicted (2.62877e-07%)
- linmin: converged after 4 iterations.
- iteration 461: trace = 2.578881820255876 (2.6288e-07% change)
- linmin: converged after 3 iterations.
- iteration 462: trace = 2.578881817775461 (9.61818e-08% change)
- linmin: converged after 3 iterations.
- iteration 463: trace = 2.578881814346596 (1.32959e-07% change)
- linmin: converged after 4 iterations.
- iteration 464: trace = 2.578881808577203 (2.23717e-07% change)
- linmin: converged after 12 iterations.
- iteration 465: trace = 2.578881805941811 (1.02191e-07% change)
- linmin: converged after 4 iterations.
- iteration 466: trace = 2.578881801060249 (1.8929e-07% change)
- linmin: converged after 5 iterations.
- iteration 467: trace = 2.578881795843017 (2.02306e-07% change)
- linmin: converged after 7 iterations.
- iteration 468: trace = 2.578881794179496 (6.45055e-08% change)
- large trace change predicted (1.59521e-07%)
- linmin: converged after 4 iterations.
- iteration 469: trace = 2.57888179006568 (1.59519e-07% change)
- linmin: converged after 4 iterations.
- iteration 470: trace = 2.578881784015823 (2.34592e-07% change)
- linmin: converged after 5 iterations.
- iteration 471: trace = 2.578881781443343 (9.97518e-08% change)
- linmin: converged after 9 iterations.
- iteration 472: trace = 2.578881778556654 (1.11936e-07% change)
- linmin: converged after 3 iterations.
- iteration 473: trace = 2.578881774866784 (1.4308e-07% change)
- linmin: converged after 5 iterations.
- iteration 474: trace = 2.578881773660004 (4.67947e-08% change)
- linmin: converged after 13 iterations.
- iteration 475: trace = 2.578881771567481 (8.11407e-08% change)
- linmin: converged after 4 iterations.
- iteration 476: trace = 2.578881768884465 (1.04038e-07% change)
- linmin: converged after 14 iterations.
- iteration 477: trace = 2.578881768221123 (2.57221e-08% change)
- large trace change predicted (9.21641e-08%)
- linmin: converged after 14 iterations.
- iteration 478: trace = 2.578881765844351 (9.21629e-08% change)
- linmin: converged after 5 iterations.
- iteration 479: trace = 2.578881763287353 (9.91514e-08% change)
- linmin: converged after 6 iterations.
- iteration 480: trace = 2.578881762435282 (3.30404e-08% change)
- large trace change predicted (1.04227e-07%)
- linmin: converged after 4 iterations.
- iteration 481: trace = 2.578881759747437 (1.04225e-07% change)
- linmin: converged after 7 iterations.
- iteration 482: trace = 2.578881756528326 (1.24826e-07% change)
- linmin: converged after 4 iterations.
- iteration 483: trace = 2.578881755828173 (2.71495e-08% change)
- large trace change predicted (1.25791e-07%)
- linmin: converged after 4 iterations.
- iteration 484: trace = 2.578881752584197 (1.2579e-07% change)
- linmin: converged after 2 iterations.
- iteration 485: trace = 2.578881750817801 (6.84947e-08% change)
- linmin: converged after 3 iterations.
- iteration 486: trace = 2.578881749817505 (3.8788e-08% change)
- large trace change predicted (1.0013e-07%)
- linmin: converged after 3 iterations.
- iteration 487: trace = 2.578881747235278 (1.0013e-07% change)
- large trace change predicted (2.43235e-07%)
- linmin: converged after 6 iterations.
- iteration 488: trace = 2.57888174096231 (2.43244e-07% change)
- large trace change predicted (6.32619e-07%)
- linmin: converged after 5 iterations.
- iteration 489: trace = 2.578881724647273 (6.3264e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 490: trace = 2.578881718426556 (2.41218e-07% change)
- linmin: converged after 4 iterations.
- iteration 491: trace = 2.578881716780178 (6.38408e-08% change)
- linmin: converged after 7 iterations.
- iteration 492: trace = 2.578881714248487 (9.81701e-08% change)
- linmin: converged after 5 iterations.
- iteration 493: trace = 2.578881712980371 (4.91731e-08% change)
- linmin: converged after 7 iterations.
- iteration 494: trace = 2.578881712148531 (3.22558e-08% change)
- linmin: converged after 7 iterations.
- iteration 495: trace = 2.578881710508369 (6.35997e-08% change)
- linmin: converged after 5 iterations.
- iteration 496: trace = 2.578881710055911 (1.75447e-08% change)
- linmin: converged after 4 iterations.
- iteration 497: trace = 2.578881709201378 (3.31358e-08% change)
- linmin: converged after 5 iterations.
- iteration 498: trace = 2.578881708396628 (3.12054e-08% change)
- linmin: converged after 5 iterations.
- iteration 499: trace = 2.578881708040746 (1.37999e-08% change)
- large trace change predicted (4.78392e-08%)
- linmin: converged after 4 iterations.
- iteration 500: trace = 2.578881706807022 (4.78395e-08% change)
- linmin: converged after 6 iterations.
- iteration 501: trace = 2.578881705319007 (5.77e-08% change)
- linmin: converged after 10 iterations.
- iteration 502: trace = 2.578881704844703 (1.83918e-08% change)
- large trace change predicted (4.39255e-08%)
- linmin: converged after 15 iterations.
- iteration 503: trace = 2.578881703711909 (4.39258e-08% change)
- linmin: converged after 8 iterations.
- iteration 504: trace = 2.578881702842232 (3.3723e-08% change)
- linmin: converged after 4 iterations.
- iteration 505: trace = 2.578881702605541 (9.17805e-09% change)
- large trace change predicted (5.31418e-08%)
- linmin: converged after 4 iterations.
- iteration 506: trace = 2.578881701235065 (5.31423e-08% change)
- linmin: converged after 4 iterations.
- iteration 507: trace = 2.578881699599157 (6.34348e-08% change)
- linmin: converged after 4 iterations.
- iteration 508: trace = 2.578881698862904 (2.85493e-08% change)
- large trace change predicted (6.56085e-08%)
- linmin: converged after 4 iterations.
- iteration 509: trace = 2.578881697170931 (6.56088e-08% change)
- linmin: converged after 24 iterations.
- iteration 510: trace = 2.57888169666101 (1.9773e-08% change)
- linmin: converged after 3 iterations.
- iteration 511: trace = 2.578881695920174 (2.8727e-08% change)
- linmin: converged after 2 iterations.
- iteration 512: trace = 2.578881694668283 (4.85439e-08% change)
- linmin: converged after 4 iterations.
- iteration 513: trace = 2.578881693905658 (2.95719e-08% change)
- linmin: converged after 12 iterations.
- iteration 514: trace = 2.578881693429598 (1.84599e-08% change)
- linmin: converged after 5 iterations.
- iteration 515: trace = 2.578881692567755 (3.34193e-08% change)
- linmin: converged after 4 iterations.
- iteration 516: trace = 2.578881692083071 (1.87943e-08% change)
- linmin: converged after 4 iterations.
- iteration 517: trace = 2.578881691498053 (2.26849e-08% change)
- linmin: converged after 6 iterations.
- iteration 518: trace = 2.578881690786688 (2.75843e-08% change)
- linmin: converged after 7 iterations.
- iteration 519: trace = 2.578881690544526 (9.39019e-09% change)
- large trace change predicted (3.33005e-08%)
- linmin: converged after 9 iterations.
- iteration 520: trace = 2.578881689685758 (3.33e-08% change)
- linmin: converged after 4 iterations.
- iteration 521: trace = 2.578881688906706 (3.02089e-08% change)
- linmin: converged after 7 iterations.
- iteration 522: trace = 2.578881688428924 (1.85267e-08% change)
- linmin: converged after 8 iterations.
- iteration 523: trace = 2.578881688124509 (1.18041e-08% change)
- large trace change predicted (3.26334e-08%)
- linmin: converged after 6 iterations.
- iteration 524: trace = 2.578881687282942 (3.2633e-08% change)
- linmin: converged after 3 iterations.
- iteration 525: trace = 2.578881687040559 (9.39876e-09% change)
- large trace change predicted (1.94505e-08%)
- linmin: converged after 8 iterations.
- iteration 526: trace = 2.578881686538957 (1.94504e-08% change)
- linmin: converged after 28 iterations.
- iteration 527: trace = 2.578881685941983 (2.31485e-08% change)
- linmin: converged after 7 iterations.
- iteration 528: trace = 2.578881685700483 (9.36451e-09% change)
- large trace change predicted (3.7376e-08%)
- linmin: converged after 7 iterations.
- iteration 529: trace = 2.578881684736602 (3.7376e-08% change)
- linmin: converged after 4 iterations.
- iteration 530: trace = 2.578881683860251 (3.39818e-08% change)
- linmin: converged after 6 iterations.
- iteration 531: trace = 2.578881683598155 (1.01632e-08% change)
- large trace change predicted (2.16464e-08%)
- linmin: converged after 5 iterations.
- iteration 532: trace = 2.578881683039921 (2.16463e-08% change)
- linmin: converged after 4 iterations.
- iteration 533: trace = 2.578881682597069 (1.71723e-08% change)
- linmin: converged after 23 iterations.
- iteration 534: trace = 2.578881682325931 (1.05138e-08% change)
- large trace change predicted (3.5112e-08%)
- linmin: converged after 3 iterations.
- iteration 535: trace = 2.578881681420434 (3.5112e-08% change)
- linmin: converged after 19 iterations.
- iteration 536: trace = 2.578881680759065 (2.56456e-08% change)
- linmin: converged after 26 iterations.
- iteration 537: trace = 2.578881680517772 (9.35651e-09% change)
- large trace change predicted (2.50835e-08%)
- linmin: converged after 4 iterations.
- iteration 538: trace = 2.5788816798709 (2.50834e-08% change)
- linmin: converged after 5 iterations.
- iteration 539: trace = 2.578881679263183 (2.35651e-08% change)
- linmin: converged after 4 iterations.
- iteration 540: trace = 2.578881679054399 (8.09592e-09% change)
- large trace change predicted (2.08287e-08%)
- linmin: converged after 7 iterations.
- iteration 541: trace = 2.578881678517249 (2.08288e-08% change)
- linmin: converged after 5 iterations.
- iteration 542: trace = 2.578881678158877 (1.38964e-08% change)
- linmin: converged after 11 iterations.
- iteration 543: trace = 2.578881677940108 (8.4831e-09% change)
- linmin: converged after 7 iterations.
- iteration 544: trace = 2.578881677524349 (1.61217e-08% change)
- linmin: converged after 6 iterations.
- iteration 545: trace = 2.578881677206355 (1.23307e-08% change)
- linmin: converged after 4 iterations.
- iteration 546: trace = 2.578881676968276 (9.23187e-09% change)
- large trace change predicted (1.86965e-08%)
- linmin: converged after 4 iterations.
- iteration 547: trace = 2.578881676486112 (1.86966e-08% change)
- linmin: converged after 4 iterations.
- iteration 548: trace = 2.578881676296866 (7.3383e-09% change)
- linmin: converged after 13 iterations.
- iteration 549: trace = 2.578881676070456 (8.77942e-09% change)
- linmin: converged after 4 iterations.
- iteration 550: trace = 2.578881675728816 (1.32476e-08% change)
- linmin: converged after 3 iterations.
- iteration 551: trace = 2.578881675497678 (8.96271e-09% change)
- linmin: converged after 3 iterations.
- iteration 552: trace = 2.578881675242907 (9.87914e-09% change)
- linmin: converged after 6 iterations.
- iteration 553: trace = 2.57888167487022 (1.44515e-08% change)
- linmin: converged after 19 iterations.
- iteration 554: trace = 2.578881674776116 (3.64902e-09% change)
- large trace change predicted (8.65085e-09%)
- linmin: converged after 21 iterations.
- iteration 555: trace = 2.578881674553021 (8.65086e-09% change)
- linmin: converged after 11 iterations.
- iteration 556: trace = 2.57888167437303 (6.97939e-09% change)
- linmin: converged after 4 iterations.
- iteration 557: trace = 2.578881674323784 (1.90959e-09% change)
- large trace change predicted (1.07489e-08%)
- linmin: converged after 4 iterations.
- iteration 558: trace = 2.578881674046585 (1.07488e-08% change)
- linmin: converged after 4 iterations.
- iteration 559: trace = 2.578881673624115 (1.63819e-08% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 560: trace = 2.578881673512144 (4.34184e-09% change)
- linmin: converged after 4 iterations.
- iteration 561: trace = 2.578881673295886 (8.38573e-09% change)
- linmin: converged after 7 iterations.
- iteration 562: trace = 2.578881673157047 (5.3837e-09% change)
- linmin: converged after 7 iterations.
- iteration 563: trace = 2.578881673066309 (3.51849e-09% change)
- linmin: converged after 5 iterations.
- iteration 564: trace = 2.578881672932382 (5.19322e-09% change)
- linmin: converged after 19 iterations.
- iteration 565: trace = 2.578881672734481 (7.67392e-09% change)
- linmin: converged after 6 iterations.
- iteration 566: trace = 2.578881672675247 (2.29689e-09% change)
- large trace change predicted (7.54241e-09%)
- linmin: converged after 20 iterations.
- iteration 567: trace = 2.578881672480739 (7.54234e-09% change)
- linmin: converged after 4 iterations.
- iteration 568: trace = 2.578881672331461 (5.78846e-09% change)
- linmin: converged after 5 iterations.
- iteration 569: trace = 2.578881672236288 (3.69047e-09% change)
- large trace change predicted (9.53334e-09%)
- linmin: converged after 4 iterations.
- iteration 570: trace = 2.578881671990434 (9.53337e-09% change)
- linmin: converged after 4 iterations.
- iteration 571: trace = 2.578881671914584 (2.94118e-09% change)
- large trace change predicted (7.29543e-09%)
- linmin: converged after 12 iterations.
- iteration 572: trace = 2.578881671726443 (7.29547e-09% change)
- linmin: converged after 21 iterations.
- iteration 573: trace = 2.578881671543017 (7.11262e-09% change)
- linmin: converged after 3 iterations.
- iteration 574: trace = 2.578881671473154 (2.70905e-09% change)
- large trace change predicted (6.57549e-09%)
- linmin: converged after 12 iterations.
- iteration 575: trace = 2.57888167130358 (6.57547e-09% change)
- linmin: converged after 7 iterations.
- iteration 576: trace = 2.578881671088701 (8.33226e-09% change)
- linmin: converged after 5 iterations.
- iteration 577: trace = 2.578881671032781 (2.16837e-09% change)
- large trace change predicted (1.09121e-08%)
- linmin: converged after 4 iterations.
- iteration 578: trace = 2.578881670751375 (1.09119e-08% change)
- linmin: converged after 12 iterations.
- iteration 579: trace = 2.578881670591658 (6.19327e-09% change)
- linmin: converged after 4 iterations.
- iteration 580: trace = 2.578881670513216 (3.04169e-09% change)
- large trace change predicted (1.04119e-08%)
- linmin: converged after 20 iterations.
- iteration 581: trace = 2.578881670244702 (1.0412e-08% change)
- linmin: converged after 4 iterations.
- iteration 582: trace = 2.578881670042271 (7.84955e-09% change)
- linmin: converged after 6 iterations.
- iteration 583: trace = 2.578881669975914 (2.57311e-09% change)
- large trace change predicted (7.51575e-09%)
- linmin: converged after 4 iterations.
- iteration 584: trace = 2.578881669782093 (7.5157e-09% change)
- linmin: converged after 3 iterations.
- iteration 585: trace = 2.578881669703646 (3.0419e-09% change)
- linmin: converged after 3 iterations.
- iteration 586: trace = 2.578881669557983 (5.6483e-09% change)
- linmin: converged after 22 iterations.
- iteration 587: trace = 2.578881669411186 (5.69227e-09% change)
- linmin: converged after 7 iterations.
- iteration 588: trace = 2.578881669317883 (3.61797e-09% change)
- linmin: converged after 4 iterations.
- iteration 589: trace = 2.578881669236906 (3.14e-09% change)
- large trace change predicted (6.96832e-09%)
- linmin: converged after 20 iterations.
- iteration 590: trace = 2.5788816690572 (6.96837e-09% change)
- linmin: converged after 24 iterations.
- iteration 591: trace = 2.57888166890418 (5.93359e-09% change)
- linmin: converged after 18 iterations.
- iteration 592: trace = 2.578881668853529 (1.96404e-09% change)
- large trace change predicted (5.39672e-09%)
- linmin: converged after 11 iterations.
- iteration 593: trace = 2.578881668714356 (5.39665e-09% change)
- linmin: converged after 4 iterations.
- iteration 594: trace = 2.578881668589363 (4.84682e-09% change)
- linmin: converged after 5 iterations.
- iteration 595: trace = 2.578881668560112 (1.13424e-09% change)
- large trace change predicted (3.13085e-09%)
- linmin: converged after 7 iterations.
- iteration 596: trace = 2.578881668479373 (3.13076e-09% change)
- linmin: converged after 4 iterations.
- iteration 597: trace = 2.578881668368087 (4.3153e-09% change)
- linmin: converged after 12 iterations.
- iteration 598: trace = 2.578881668327885 (1.5589e-09% change)
- large trace change predicted (5.339e-09%)
- linmin: converged after 5 iterations.
- iteration 599: trace = 2.578881668190197 (5.33904e-09% change)
- linmin: converged after 15 iterations.
- iteration 600: trace = 2.578881668069743 (4.67078e-09% change)
- linmin: converged after 24 iterations.
- iteration 601: trace = 2.578881668035215 (1.33889e-09% change)
- large trace change predicted (3.15479e-09%)
- linmin: converged after 12 iterations.
- iteration 602: trace = 2.578881667953855 (3.15485e-09% change)
- linmin: converged after 21 iterations.
- iteration 603: trace = 2.578881667910796 (1.66967e-09% change)
- linmin: converged after 24 iterations.
- iteration 604: trace = 2.578881667856274 (2.11418e-09% change)
- linmin: converged after 3 iterations.
- iteration 605: trace = 2.578881667765254 (3.52944e-09% change)
- linmin: converged after 19 iterations.
- iteration 606: trace = 2.578881667737539 (1.0747e-09% change)
- large trace change predicted (3.07161e-09%)
- linmin: converged after 2 iterations.
- iteration 607: trace = 2.578881667658322 (3.07173e-09% change)
- linmin: converged after 7 iterations.
- iteration 608: trace = 2.578881667584383 (2.86712e-09% change)
- linmin: converged after 4 iterations.
- iteration 609: trace = 2.578881667557337 (1.04875e-09% change)
- large trace change predicted (3.28848e-09%)
- linmin: converged after 27 iterations.
- iteration 610: trace = 2.57888166747253 (3.28853e-09% change)
- linmin: converged after 24 iterations.
- iteration 611: trace = 2.57888166736174 (4.29605e-09% change)
- linmin: converged after 10 iterations.
- iteration 612: trace = 2.578881667282033 (3.09075e-09% change)
- linmin: converged after 23 iterations.
- iteration 613: trace = 2.578881667222985 (2.28965e-09% change)
- linmin: converged after 4 iterations.
- iteration 614: trace = 2.578881667151451 (2.77383e-09% change)
- linmin: converged after 9 iterations.
- iteration 615: trace = 2.578881667116891 (1.34013e-09% change)
- linmin: converged after 19 iterations.
- iteration 616: trace = 2.578881667068707 (1.86839e-09% change)
- linmin: converged after 24 iterations.
- iteration 617: trace = 2.578881666997116 (2.77607e-09% change)
- linmin: converged after 4 iterations.
- iteration 618: trace = 2.578881666943873 (2.06455e-09% change)
- linmin: converged after 4 iterations.
- iteration 619: trace = 2.578881666924302 (7.58895e-10% change)
- large trace change predicted (2.04941e-09%)
- linmin: converged after 6 iterations.
- iteration 620: trace = 2.578881666871453 (2.04933e-09% change)
- linmin: converged after 8 iterations.
- iteration 621: trace = 2.578881666829185 (1.63899e-09% change)
- linmin: converged after 6 iterations.
- iteration 622: trace = 2.578881666776131 (2.05725e-09% change)
- linmin: converged after 5 iterations.
- iteration 623: trace = 2.578881666709835 (2.57074e-09% change)
- linmin: converged after 7 iterations.
- iteration 624: trace = 2.578881666694345 (6.00641e-10% change)
- large trace change predicted (1.31907e-09%)
- linmin: converged after 15 iterations.
- iteration 625: trace = 2.578881666660327 (1.3191e-09% change)
- linmin: converged after 16 iterations.
- iteration 626: trace = 2.578881666625079 (1.3668e-09% change)
- linmin: converged after 4 iterations.
- iteration 627: trace = 2.578881666610428 (5.68112e-10% change)
- large trace change predicted (3.02454e-09%)
- linmin: converged after 3 iterations.
- iteration 628: trace = 2.578881666532428 (3.02456e-09% change)
- linmin: converged after 6 iterations.
- iteration 629: trace = 2.578881666402975 (5.01973e-09% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 630: trace = 2.578881666365661 (1.44689e-09% change)
- linmin: converged after 14 iterations.
- iteration 631: trace = 2.578881666308834 (2.20355e-09% change)
- linmin: converged after 4 iterations.
- iteration 632: trace = 2.578881666271098 (1.46327e-09% change)
- linmin: converged after 3 iterations.
- iteration 633: trace = 2.578881666261256 (3.81652e-10% change)
- large trace change predicted (1.10518e-09%)
- linmin: converged after 4 iterations.
- iteration 634: trace = 2.578881666232756 (1.10514e-09% change)
- linmin: converged after 5 iterations.
- iteration 635: trace = 2.578881666211092 (8.40037e-10% change)
- linmin: converged after 8 iterations.
- iteration 636: trace = 2.578881666196355 (5.71436e-10% change)
- linmin: converged after 15 iterations.
- iteration 637: trace = 2.578881666170575 (9.99686e-10% change)
- linmin: converged after 7 iterations.
- iteration 638: trace = 2.578881666158961 (4.50326e-10% change)
- linmin: converged after 3 iterations.
- iteration 639: trace = 2.578881666137326 (8.38952e-10% change)
- large trace change predicted (1.70635e-09%)
- linmin: converged after 16 iterations.
- iteration 640: trace = 2.578881666093318 (1.70646e-09% change)
- linmin: converged after 4 iterations.
- iteration 641: trace = 2.578881666076654 (6.46189e-10% change)
- large trace change predicted (1.54369e-09%)
- linmin: converged after 10 iterations.
- iteration 642: trace = 2.578881666036843 (1.54371e-09% change)
- linmin: converged after 4 iterations.
- iteration 643: trace = 2.578881665998372 (1.49179e-09% change)
- linmin: converged after 6 iterations.
- iteration 644: trace = 2.578881665989188 (3.56131e-10% change)
- large trace change predicted (9.14615e-10%)
- linmin: converged after 4 iterations.
- iteration 645: trace = 2.5788816659656 (9.14652e-10% change)
- linmin: converged after 13 iterations.
- iteration 646: trace = 2.578881665938786 (1.03974e-09% change)
- linmin: converged after 3 iterations.
- iteration 647: trace = 2.578881665927605 (4.33588e-10% change)
- large trace change predicted (1.85373e-09%)
- linmin: converged after 5 iterations.
- iteration 648: trace = 2.578881665879801 (1.85365e-09% change)
- linmin: converged after 6 iterations.
- iteration 649: trace = 2.578881665849486 (1.17552e-09% change)
- linmin: converged after 3 iterations.
- iteration 650: trace = 2.578881665837637 (4.59453e-10% change)
- linmin: converged after 4 iterations.
- iteration 651: trace = 2.578881665818133 (7.56295e-10% change)
- linmin: converged after 3 iterations.
- iteration 652: trace = 2.578881665793404 (9.58891e-10% change)
- linmin: converged after 3 iterations.
- iteration 653: trace = 2.57888166578838 (1.94847e-10% change)
- large trace change predicted (6.15716e-10%)
- linmin: converged after 3 iterations.
- iteration 654: trace = 2.578881665772504 (6.15606e-10% change)
- linmin: converged after 5 iterations.
- iteration 655: trace = 2.578881665755103 (6.74757e-10% change)
- linmin: converged after 15 iterations.
- iteration 656: trace = 2.578881665733172 (8.50404e-10% change)
- linmin: converged after 3 iterations.
- iteration 657: trace = 2.578881665727903 (2.04301e-10% change)
- large trace change predicted (8.55276e-10%)
- linmin: converged after 12 iterations.
- iteration 658: trace = 2.578881665705846 (8.55277e-10% change)
- linmin: converged after 5 iterations.
- iteration 659: trace = 2.578881665687642 (7.05891e-10% change)
- linmin: converged after 12 iterations.
- iteration 660: trace = 2.578881665677319 (4.00284e-10% change)
- large trace change predicted (1.03966e-09%)
- linmin: converged after 3 iterations.
- iteration 661: trace = 2.578881665650508 (1.03965e-09% change)
- linmin: converged after 4 iterations.
- iteration 662: trace = 2.578881665630861 (7.6184e-10% change)
- linmin: converged after 15 iterations.
- iteration 663: trace = 2.578881665624601 (2.42754e-10% change)
- large trace change predicted (8.73049e-10%)
- linmin: converged after 10 iterations.
- iteration 664: trace = 2.578881665602088 (8.72979e-10% change)
- linmin: converged after 3 iterations.
- iteration 665: trace = 2.578881665585691 (6.35805e-10% change)
- linmin: converged after 9 iterations.
- iteration 666: trace = 2.578881665579373 (2.44975e-10% change)
- large trace change predicted (5.44998e-10%)
- linmin: converged after 3 iterations.
- iteration 667: trace = 2.578881665565317 (5.45072e-10% change)
- linmin: converged after 3 iterations.
- iteration 668: trace = 2.578881665550274 (5.83318e-10% change)
- linmin: converged after 8 iterations.
- iteration 669: trace = 2.578881665539279 (4.26321e-10% change)
- linmin: converged after 15 iterations.
- iteration 670: trace = 2.578881665517534 (8.43188e-10% change)
- linmin: converged after 3 iterations.
- iteration 671: trace = 2.5788816655135 (1.56429e-10% change)
- large trace change predicted (6.11963e-10%)
- linmin: converged after 7 iterations.
- iteration 672: trace = 2.578881665497717 (6.12007e-10% change)
- linmin: converged after 3 iterations.
- iteration 673: trace = 2.578881665485625 (4.68907e-10% change)
- linmin: converged after 2 iterations.
- iteration 674: trace = 2.578881665477133 (3.29285e-10% change)
- linmin: converged after 4 iterations.
- iteration 675: trace = 2.578881665468803 (3.23017e-10% change)
- linmin: converged after 15 iterations.
- iteration 676: trace = 2.578881665455805 (5.04002e-10% change)
- linmin: converged after 15 iterations.
- iteration 677: trace = 2.578881665446927 (3.44267e-10% change)
- linmin: converged after 4 iterations.
- iteration 678: trace = 2.578881665434703 (4.74004e-10% change)
- linmin: converged after 14 iterations.
- iteration 679: trace = 2.578881665414669 (7.76839e-10% change)
- linmin: converged after 4 iterations.
- iteration 680: trace = 2.578881665410171 (1.74406e-10% change)
- large trace change predicted (5.34734e-10%)
- linmin: converged after 6 iterations.
- iteration 681: trace = 2.578881665396382 (5.34705e-10% change)
- linmin: converged after 13 iterations.
- iteration 682: trace = 2.578881665382299 (5.46105e-10% change)
- linmin: converged after 12 iterations.
- iteration 683: trace = 2.578881665377376 (1.90886e-10% change)
- large trace change predicted (4.80507e-10%)
- linmin: converged after 11 iterations.
- iteration 684: trace = 2.578881665364982 (4.80582e-10% change)
- linmin: converged after 4 iterations.
- iteration 685: trace = 2.578881665352843 (4.70698e-10% change)
- linmin: converged after 4 iterations.
- iteration 686: trace = 2.578881665343447 (3.64363e-10% change)
- linmin: converged after 3 iterations.
- iteration 687: trace = 2.578881665339246 (1.62886e-10% change)
- large trace change predicted (3.86006e-10%)
- linmin: converged after 8 iterations.
- iteration 688: trace = 2.578881665329292 (3.86009e-10% change)
- linmin: converged after 15 iterations.
- iteration 689: trace = 2.57888166532241 (2.66845e-10% change)
- linmin: converged after 4 iterations.
- iteration 690: trace = 2.578881665319939 (9.58133e-11% change)
-Finished solving for bands 1 to 10 after 690 iterations.
-tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357
-elapsed time for k point: 6.103622674942017
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 10...
- linmin: converged after 5 iterations.
- iteration 1: trace = 2.744311706566845 (2.29525% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.727853429188773 (0.601527% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.712444778499678 (0.566463% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 2.709059882647264 (0.124869% change)
- large trace change predicted (0.449863%)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.697341162333736 (0.433513% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 2.694430122046091 (0.107981% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 2.689690881339194 (0.176045% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.684920914106784 (0.1775% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.683317893044006 (0.0597224% change)
- large trace change predicted (0.123465%)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.680111196554443 (0.119576% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.678994185279359 (0.0416865% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.677047604712764 (0.0726873% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.675749668986879 (0.0484956% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 2.675253512529668 (0.0185444% change)
- large trace change predicted (0.0689961%)
- linmin: converged after 5 iterations.
- iteration 15: trace = 2.673466767247756 (0.0668102% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 2.672597660652589 (0.0325139% change)
- large trace change predicted (0.0848707%)
- linmin: converged after 5 iterations.
- iteration 17: trace = 2.670556349849861 (0.0764085% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 2.669703874082995 (0.0319264% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 2.668900351150444 (0.0301024% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 2.668441764783743 (0.0171841% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 2.667894295966653 (0.0205185% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.667712420203308 (0.00681744% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 2.667380646818715 (0.0124374% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 2.667219082742461 (0.00605721% change)
- large trace change predicted (0.0140638%)
- linmin: converged after 4 iterations.
- iteration 25: trace = 2.66684774538052 (0.0139232% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 2.666714603089204 (0.00499262% change)
- large trace change predicted (0.0115122%)
- linmin: converged after 4 iterations.
- iteration 27: trace = 2.666408036339559 (0.0114967% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 2.666220305149554 (0.00704085% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 2.66597312092934 (0.00927139% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 2.665789186993254 (0.00689955% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 2.665604105047465 (0.0069431% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 2.665322393682089 (0.0105689% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 2.665175370989547 (0.00551628% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 2.664933916151045 (0.00906003% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 2.664826985369218 (0.00401259% change)
- large trace change predicted (0.0092731%)
- linmin: converged after 4 iterations.
- iteration 36: trace = 2.664575674215955 (0.00943112% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 2.664486077834961 (0.00336256% change)
- large trace change predicted (0.00824588%)
- linmin: converged after 3 iterations.
- iteration 38: trace = 2.66426321971807 (0.00836437% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 2.664167698140893 (0.00358535% change)
- large trace change predicted (0.00963697%)
- linmin: converged after 3 iterations.
- iteration 40: trace = 2.663907663756214 (0.00976091% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 2.663805028176641 (0.00385289% change)
- large trace change predicted (0.010414%)
- linmin: converged after 4 iterations.
- iteration 42: trace = 2.663525763579706 (0.0104842% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 2.663401608748139 (0.00466141% change)
- large trace change predicted (0.00944192%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 2.663149126389749 (0.00948014% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 2.663044892504995 (0.00391401% change)
- large trace change predicted (0.00793982%)
- linmin: converged after 4 iterations.
- iteration 46: trace = 2.662833377783387 (0.0079429% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 2.662716816016567 (0.00437745% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 2.662492945270663 (0.00840796% change)
- linmin: converged after 10 iterations.
- iteration 49: trace = 2.662363198583294 (0.00487325% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 2.662194435901293 (0.00633903% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 2.662058263970111 (0.00511516% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 2.661880036824464 (0.00669531% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 2.661724424549829 (0.00584612% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 2.661571659351845 (0.0057395% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 2.661350624840456 (0.00830501% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 2.661190937801536 (0.00600041% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 2.660967704777387 (0.00838882% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 2.660849318412781 (0.0044491% change)
- large trace change predicted (0.00999838%)
- linmin: converged after 4 iterations.
- iteration 59: trace = 2.660586139879843 (0.00989126% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 2.660492932363067 (0.00350333% change)
- large trace change predicted (0.00837966%)
- linmin: converged after 4 iterations.
- iteration 61: trace = 2.660271734284825 (0.00831452% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 2.660168754141257 (0.00387111% change)
- large trace change predicted (0.0102877%)
- linmin: converged after 4 iterations.
- iteration 63: trace = 2.659896542020582 (0.0102334% change)
- linmin: converged after 6 iterations.
- iteration 64: trace = 2.659777432904348 (0.00447806% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 2.659570313256062 (0.00778741% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 2.659406587425108 (0.00615629% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 2.659264423859675 (0.00534583% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 2.659119392291422 (0.00545397% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 2.659023915401236 (0.00359061% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 70: trace = 2.658915873699179 (0.00406329% change)
- large trace change predicted (0.016385%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 2.65847821219801 (0.0164615% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 2.658118975344289 (0.0135138% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 2.657882986337128 (0.00887844% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 2.657598355694323 (0.0107095% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 2.657541563519207 (0.002137% change)
- large trace change predicted (0.00462973%)
- linmin: converged after 3 iterations.
- iteration 76: trace = 2.657418313642661 (0.00463785% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 2.657346174417507 (0.00271467% change)
- linmin: converged after 6 iterations.
- iteration 78: trace = 2.657324770813269 (0.000805454% change)
- large trace change predicted (0.00211725%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 2.657268389099224 (0.00212177% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 2.657245708872471 (0.00085352% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 2.657219660351481 (0.000980288% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 2.657182681218516 (0.00139166% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 2.657168089408553 (0.000549147% change)
- large trace change predicted (0.00207295%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 2.657112955464979 (0.00207494% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 2.657052124539778 (0.00228939% change)
- linmin: converged after 9 iterations.
- iteration 86: trace = 2.657017628805025 (0.00129828% change)
- large trace change predicted (0.0041929%)
- linmin: converged after 3 iterations.
- iteration 87: trace = 2.656905955255567 (0.00420305% change)
- linmin: converged after 4 iterations.
- iteration 88: trace = 2.656840795769683 (0.00245249% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 2.656716258420769 (0.00468753% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 2.656564762507229 (0.00570254% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 2.656504400467738 (0.00227221% change)
- large trace change predicted (0.00808324%)
- linmin: converged after 4 iterations.
- iteration 92: trace = 2.656289837853747 (0.0080772% change)
- linmin: converged after 3 iterations.
- iteration 93: trace = 2.656193473489253 (0.00362785% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 2.656063428358988 (0.00489604% change)
- linmin: converged after 4 iterations.
- iteration 95: trace = 2.655889889600818 (0.0065339% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 2.655839142251867 (0.00191077% change)
- large trace change predicted (0.00421301%)
- linmin: converged after 3 iterations.
- iteration 97: trace = 2.655727256189858 (0.00421292% change)
- linmin: converged after 4 iterations.
- iteration 98: trace = 2.655616150869089 (0.0041837% change)
- linmin: converged after 4 iterations.
- iteration 99: trace = 2.655571209211261 (0.00169234% change)
- linmin: converged after 3 iterations.
- iteration 100: trace = 2.655503811953288 (0.00253799% change)
- linmin: converged after 3 iterations.
- iteration 101: trace = 2.655488980723592 (0.000558511% change)
- large trace change predicted (0.00182287%)
- linmin: converged after 3 iterations.
- iteration 102: trace = 2.655440595979532 (0.00182208% change)
- linmin: converged after 4 iterations.
- iteration 103: trace = 2.655383205452213 (0.00216127% change)
- linmin: converged after 5 iterations.
- iteration 104: trace = 2.655357510966723 (0.000967642% change)
- large trace change predicted (0.00357653%)
- linmin: converged after 4 iterations.
- iteration 105: trace = 2.655262493743208 (0.00357839% change)
- linmin: converged after 4 iterations.
- iteration 106: trace = 2.655229576881033 (0.00123969% change)
- large trace change predicted (0.00270501%)
- linmin: converged after 3 iterations.
- iteration 107: trace = 2.655157690114051 (0.0027074% change)
- linmin: converged after 3 iterations.
- iteration 108: trace = 2.655030930807147 (0.00477419% change)
- linmin: converged after 4 iterations.
- iteration 109: trace = 2.654980461725226 (0.0019009% change)
- large trace change predicted (0.00534967%)
- linmin: converged after 4 iterations.
- iteration 110: trace = 2.65483831067593 (0.00535427% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 2.654712145935743 (0.00475237% change)
- linmin: converged after 4 iterations.
- iteration 112: trace = 2.654658501141271 (0.00202076% change)
- linmin: converged after 4 iterations.
- iteration 113: trace = 2.654566839474135 (0.00345292% change)
- linmin: converged after 4 iterations.
- iteration 114: trace = 2.654539506720603 (0.00102966% change)
- large trace change predicted (0.00383287%)
- linmin: converged after 4 iterations.
- iteration 115: trace = 2.654437788715784 (0.00383192% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 2.654364539132505 (0.00275955% change)
- linmin: converged after 3 iterations.
- iteration 117: trace = 2.654340189959548 (0.00091733% change)
- large trace change predicted (0.00275142%)
- linmin: converged after 3 iterations.
- iteration 118: trace = 2.654267203206098 (0.00274975% change)
- linmin: converged after 3 iterations.
- iteration 119: trace = 2.654255160348953 (0.000453718% change)
- large trace change predicted (0.00136354%)
- linmin: converged after 3 iterations.
- iteration 120: trace = 2.654218987146353 (0.00136285% change)
- linmin: converged after 3 iterations.
- iteration 121: trace = 2.654200862719402 (0.000682856% change)
- linmin: converged after 4 iterations.
- iteration 122: trace = 2.65419338921621 (0.000281573% change)
- large trace change predicted (0.000758533%)
- linmin: converged after 5 iterations.
- iteration 123: trace = 2.65417325754406 (0.000758488% change)
- linmin: converged after 4 iterations.
- iteration 124: trace = 2.654167283770966 (0.000225071% change)
- linmin: converged after 3 iterations.
- iteration 125: trace = 2.654157924388185 (0.00035263% change)
- linmin: converged after 4 iterations.
- iteration 126: trace = 2.654147428429356 (0.000395454% change)
- linmin: converged after 4 iterations.
- iteration 127: trace = 2.65414356521363 (0.000145554% change)
- large trace change predicted (0.000376496%)
- linmin: converged after 4 iterations.
- iteration 128: trace = 2.654133572243902 (0.000376505% change)
- linmin: converged after 3 iterations.
- iteration 129: trace = 2.654120961518042 (0.000475136% change)
- linmin: converged after 4 iterations.
- iteration 130: trace = 2.654109191835844 (0.00044345% change)
- linmin: converged after 3 iterations.
- iteration 131: trace = 2.654085880836995 (0.000878302% change)
- linmin: converged after 6 iterations.
- iteration 132: trace = 2.654077837930282 (0.000303039% change)
- large trace change predicted (0.000990428%)
- linmin: converged after 3 iterations.
- iteration 133: trace = 2.654051536673845 (0.00099098% change)
- linmin: converged after 5 iterations.
- iteration 134: trace = 2.654040116195589 (0.000430304% change)
- linmin: converged after 3 iterations.
- iteration 135: trace = 2.654033618699459 (0.000244816% change)
- linmin: converged after 3 iterations.
- iteration 136: trace = 2.654022217430992 (0.000429584% change)
- linmin: converged after 3 iterations.
- iteration 137: trace = 2.654018101221194 (0.000155093% change)
- large trace change predicted (0.00048083%)
- linmin: converged after 3 iterations.
- iteration 138: trace = 2.65400533905391 (0.000480863% change)
- linmin: converged after 3 iterations.
- iteration 139: trace = 2.65399702905286 (0.000313112% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 140: trace = 2.653995088459377 (7.31197e-05% change)
- linmin: converged after 4 iterations.
- iteration 141: trace = 2.653992473173823 (9.85415e-05% change)
- linmin: converged after 3 iterations.
- iteration 142: trace = 2.6539901550025 (8.73466e-05% change)
- linmin: converged after 4 iterations.
- iteration 143: trace = 2.653988588755459 (5.90148e-05% change)
- linmin: converged after 4 iterations.
- iteration 144: trace = 2.653985747965276 (0.000107039% change)
- linmin: converged after 5 iterations.
- iteration 145: trace = 2.653984648480818 (4.14277e-05% change)
- linmin: converged after 4 iterations.
- iteration 146: trace = 2.6539827442467 (7.175e-05% change)
- linmin: converged after 4 iterations.
- iteration 147: trace = 2.653979604141536 (0.000118317% change)
- linmin: converged after 5 iterations.
- iteration 148: trace = 2.653979060079978 (2.04998e-05% change)
- large trace change predicted (9.46791e-05%)
- linmin: converged after 3 iterations.
- iteration 149: trace = 2.653976547210318 (9.46831e-05% change)
- linmin: converged after 3 iterations.
- iteration 150: trace = 2.653975158224627 (5.2336e-05% change)
- linmin: converged after 4 iterations.
- iteration 151: trace = 2.653973699093475 (5.49791e-05% change)
- large trace change predicted (0.000111656%)
- linmin: converged after 3 iterations.
- iteration 152: trace = 2.65397073580476 (0.000111655% change)
- linmin: converged after 3 iterations.
- iteration 153: trace = 2.653968437943291 (8.65821e-05% change)
- linmin: converged after 2 iterations.
- iteration 154: trace = 2.653966790958189 (6.20575e-05% change)
- large trace change predicted (0.000206077%)
- linmin: converged after 5 iterations.
- iteration 155: trace = 2.653961321414043 (0.00020609% change)
- linmin: converged after 3 iterations.
- iteration 156: trace = 2.653959586308098 (6.5378e-05% change)
- large trace change predicted (0.000249099%)
- linmin: converged after 4 iterations.
- iteration 157: trace = 2.653952975410349 (0.000249096% change)
- linmin: converged after 4 iterations.
- iteration 158: trace = 2.653947557440701 (0.000204147% change)
- linmin: converged after 3 iterations.
- iteration 159: trace = 2.653944316216653 (0.000122128% change)
- large trace change predicted (0.000321194%)
- linmin: converged after 4 iterations.
- iteration 160: trace = 2.653935789769726 (0.000321275% change)
- linmin: converged after 4 iterations.
- iteration 161: trace = 2.653926974756279 (0.000332149% change)
- linmin: converged after 4 iterations.
- iteration 162: trace = 2.653925366529978 (6.0598e-05% change)
- large trace change predicted (0.000210672%)
- linmin: converged after 4 iterations.
- iteration 163: trace = 2.653919774884092 (0.000210694% change)
- linmin: converged after 4 iterations.
- iteration 164: trace = 2.653917952098645 (6.86828e-05% change)
- linmin: converged after 4 iterations.
- iteration 165: trace = 2.653915878528639 (7.81324e-05% change)
- linmin: converged after 4 iterations.
- iteration 166: trace = 2.653913457863796 (9.12111e-05% change)
- linmin: converged after 3 iterations.
- iteration 167: trace = 2.653912728937688 (2.74661e-05% change)
- large trace change predicted (0.000100225%)
- linmin: converged after 5 iterations.
- iteration 168: trace = 2.653910068832205 (0.000100233% change)
- linmin: converged after 4 iterations.
- iteration 169: trace = 2.653908236923407 (6.90268e-05% change)
- linmin: converged after 3 iterations.
- iteration 170: trace = 2.653907655542546 (2.19066e-05% change)
- large trace change predicted (7.38394e-05%)
- linmin: converged after 8 iterations.
- iteration 171: trace = 2.653905696182572 (7.38293e-05% change)
- linmin: converged after 3 iterations.
- iteration 172: trace = 2.653904101524922 (6.00872e-05% change)
- linmin: converged after 4 iterations.
- iteration 173: trace = 2.65390359935577 (1.89219e-05% change)
- large trace change predicted (6.97395e-05%)
- linmin: converged after 4 iterations.
- iteration 174: trace = 2.653901748740724 (6.97318e-05% change)
- linmin: converged after 7 iterations.
- iteration 175: trace = 2.653900309093713 (5.42464e-05% change)
- linmin: converged after 4 iterations.
- iteration 176: trace = 2.653899661043319 (2.44188e-05% change)
- large trace change predicted (8.21436e-05%)
- linmin: converged after 3 iterations.
- iteration 177: trace = 2.653897481265382 (8.21349e-05% change)
- linmin: converged after 4 iterations.
- iteration 178: trace = 2.65389478450565 (0.000101615% change)
- linmin: converged after 3 iterations.
- iteration 179: trace = 2.653893725850911 (3.98906e-05% change)
- large trace change predicted (0.000173259%)
- linmin: converged after 4 iterations.
- iteration 180: trace = 2.653889127603079 (0.000173264% change)
- linmin: converged after 3 iterations.
- iteration 181: trace = 2.653888302725084 (3.10819e-05% change)
- large trace change predicted (9.92913e-05%)
- linmin: converged after 5 iterations.
- iteration 182: trace = 2.653885667431768 (9.92994e-05% change)
- linmin: converged after 4 iterations.
- iteration 183: trace = 2.653883594961416 (7.8092e-05% change)
- linmin: converged after 3 iterations.
- iteration 184: trace = 2.653882451031205 (4.3104e-05% change)
- linmin: converged after 3 iterations.
- iteration 185: trace = 2.653880513738066 (7.29985e-05% change)
- linmin: converged after 3 iterations.
- iteration 186: trace = 2.653880029985519 (1.82281e-05% change)
- linmin: converged after 2 iterations.
- iteration 187: trace = 2.653879272951855 (2.85255e-05% change)
- linmin: converged after 4 iterations.
- iteration 188: trace = 2.653878603134779 (2.52392e-05% change)
- linmin: converged after 3 iterations.
- iteration 189: trace = 2.653878402301266 (7.56755e-06% change)
- large trace change predicted (1.8864e-05%)
- linmin: converged after 3 iterations.
- iteration 190: trace = 2.653877901679897 (1.88638e-05% change)
- linmin: converged after 4 iterations.
- iteration 191: trace = 2.653877422322583 (1.80625e-05% change)
- linmin: converged after 2 iterations.
- iteration 192: trace = 2.653877311013573 (4.1942e-06% change)
- large trace change predicted (1.21075e-05%)
- linmin: converged after 8 iterations.
- iteration 193: trace = 2.653876989698607 (1.21074e-05% change)
- linmin: converged after 3 iterations.
- iteration 194: trace = 2.653876699362455 (1.09401e-05% change)
- linmin: converged after 4 iterations.
- iteration 195: trace = 2.653876504482589 (7.34322e-06% change)
- large trace change predicted (1.82666e-05%)
- linmin: converged after 3 iterations.
- iteration 196: trace = 2.653876019727643 (1.82659e-05% change)
- linmin: converged after 3 iterations.
- iteration 197: trace = 2.653875742474495 (1.04471e-05% change)
- large trace change predicted (2.56597e-05%)
- linmin: converged after 3 iterations.
- iteration 198: trace = 2.653875061536108 (2.56583e-05% change)
- linmin: converged after 4 iterations.
- iteration 199: trace = 2.653874148251663 (3.44132e-05% change)
- linmin: converged after 3 iterations.
- iteration 200: trace = 2.653873609274898 (2.03091e-05% change)
- linmin: converged after 5 iterations.
- iteration 201: trace = 2.653872934441708 (2.54282e-05% change)
- linmin: converged after 4 iterations.
- iteration 202: trace = 2.653871896054025 (3.91273e-05% change)
- linmin: converged after 11 iterations.
- iteration 203: trace = 2.653871548124646 (1.31103e-05% change)
- large trace change predicted (3.26431e-05%)
- linmin: converged after 3 iterations.
- iteration 204: trace = 2.653870681752589 (3.26456e-05% change)
- linmin: converged after 5 iterations.
- iteration 205: trace = 2.653870113180877 (2.14242e-05% change)
- linmin: converged after 8 iterations.
- iteration 206: trace = 2.653869969355715 (5.41945e-06% change)
- large trace change predicted (1.28858e-05%)
- linmin: converged after 5 iterations.
- iteration 207: trace = 2.65386962738419 (1.28858e-05% change)
- linmin: converged after 4 iterations.
- iteration 208: trace = 2.653869347066689 (1.05626e-05% change)
- linmin: converged after 4 iterations.
- iteration 209: trace = 2.653869078666865 (1.01135e-05% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 210: trace = 2.653868929278431 (5.62908e-06% change)
- linmin: converged after 3 iterations.
- iteration 211: trace = 2.653868854720528 (2.8094e-06% change)
- linmin: converged after 4 iterations.
- iteration 212: trace = 2.653868739621619 (4.33702e-06% change)
- linmin: converged after 4 iterations.
- iteration 213: trace = 2.653868664026334 (2.84849e-06% change)
- large trace change predicted (6.99836e-06%)
- linmin: converged after 3 iterations.
- iteration 214: trace = 2.653868478285486 (6.99887e-06% change)
- linmin: converged after 2 iterations.
- iteration 215: trace = 2.653868240868427 (8.94608e-06% change)
- linmin: converged after 3 iterations.
- iteration 216: trace = 2.653868168188466 (2.73864e-06% change)
- large trace change predicted (1.06412e-05%)
- linmin: converged after 4 iterations.
- iteration 217: trace = 2.653867885773913 (1.06416e-05% change)
- linmin: converged after 3 iterations.
- iteration 218: trace = 2.653867629580051 (9.6536e-06% change)
- linmin: converged after 4 iterations.
- iteration 219: trace = 2.6538674425532 (7.04733e-06% change)
- large trace change predicted (1.43941e-05%)
- linmin: converged after 2 iterations.
- iteration 220: trace = 2.653867060548923 (1.43942e-05% change)
- linmin: converged after 5 iterations.
- iteration 221: trace = 2.653866955046615 (3.97542e-06% change)
- large trace change predicted (1.13656e-05%)
- linmin: converged after 2 iterations.
- iteration 222: trace = 2.65386665341414 (1.13658e-05% change)
- linmin: converged after 2 iterations.
- iteration 223: trace = 2.65386635665272 (1.11822e-05% change)
- linmin: converged after 2 iterations.
- iteration 224: trace = 2.653866275659121 (3.05191e-06% change)
- large trace change predicted (6.7759e-06%)
- linmin: converged after 8 iterations.
- iteration 225: trace = 2.653866095841 (6.7757e-06% change)
- linmin: converged after 3 iterations.
- iteration 226: trace = 2.653865950839495 (5.46378e-06% change)
- linmin: converged after 16 iterations.
- iteration 227: trace = 2.653865911375441 (1.48704e-06% change)
- large trace change predicted (5.25307e-06%)
- linmin: converged after 8 iterations.
- iteration 228: trace = 2.653865771971354 (5.25287e-06% change)
- linmin: converged after 30 iterations.
- iteration 229: trace = 2.653865714385018 (2.1699e-06% change)
- linmin: converged after 12 iterations.
- iteration 230: trace = 2.653865636870298 (2.92082e-06% change)
- linmin: converged after 3 iterations.
- iteration 231: trace = 2.653865565556158 (2.68718e-06% change)
- linmin: converged after 8 iterations.
- iteration 232: trace = 2.653865524729734 (1.53838e-06% change)
- linmin: converged after 4 iterations.
- iteration 233: trace = 2.653865447933593 (2.89375e-06% change)
- linmin: converged after 3 iterations.
- iteration 234: trace = 2.653865309756233 (5.20665e-06% change)
- linmin: converged after 3 iterations.
- iteration 235: trace = 2.653865266341062 (1.63592e-06% change)
- large trace change predicted (5.70743e-06%)
- linmin: converged after 7 iterations.
- iteration 236: trace = 2.65386511487547 (5.70736e-06% change)
- linmin: converged after 3 iterations.
- iteration 237: trace = 2.653864885071656 (8.65921e-06% change)
- linmin: converged after 4 iterations.
- iteration 238: trace = 2.653864825211013 (2.2556e-06% change)
- large trace change predicted (1.44429e-05%)
- linmin: converged after 3 iterations.
- iteration 239: trace = 2.653864441923401 (1.44426e-05% change)
- linmin: converged after 2 iterations.
- iteration 240: trace = 2.653864126069366 (1.19017e-05% change)
- linmin: converged after 3 iterations.
- iteration 241: trace = 2.653864012362174 (4.28459e-06% change)
- large trace change predicted (9.19425e-06%)
- linmin: converged after 2 iterations.
- iteration 242: trace = 2.653863768346315 (9.19474e-06% change)
- linmin: converged after 13 iterations.
- iteration 243: trace = 2.653863532230602 (8.89706e-06% change)
- linmin: converged after 2 iterations.
- iteration 244: trace = 2.653863422465232 (4.13606e-06% change)
- linmin: converged after 3 iterations.
- iteration 245: trace = 2.653863204777629 (8.20267e-06% change)
- linmin: converged after 2 iterations.
- iteration 246: trace = 2.653863147350654 (2.1639e-06% change)
- large trace change predicted (6.36488e-06%)
- linmin: converged after 2 iterations.
- iteration 247: trace = 2.653862978430967 (6.36505e-06% change)
- linmin: converged after 2 iterations.
- iteration 248: trace = 2.653862840031454 (5.21502e-06% change)
- linmin: converged after 5 iterations.
- iteration 249: trace = 2.653862795682846 (1.6711e-06% change)
- linmin: converged after 2 iterations.
- iteration 250: trace = 2.653862736730642 (2.22137e-06% change)
- linmin: converged after 4 iterations.
- iteration 251: trace = 2.653862665750763 (2.67459e-06% change)
- linmin: converged after 3 iterations.
- iteration 252: trace = 2.653862644330882 (8.07121e-07% change)
- large trace change predicted (1.69537e-06%)
- linmin: converged after 7 iterations.
- iteration 253: trace = 2.653862599339077 (1.69533e-06% change)
- linmin: converged after 3 iterations.
- iteration 254: trace = 2.653862557331928 (1.58287e-06% change)
- linmin: converged after 3 iterations.
- iteration 255: trace = 2.653862542110703 (5.7355e-07% change)
- large trace change predicted (2.41703e-06%)
- linmin: converged after 3 iterations.
- iteration 256: trace = 2.653862477967833 (2.41696e-06% change)
- linmin: converged after 3 iterations.
- iteration 257: trace = 2.653862429244086 (1.83596e-06% change)
- linmin: converged after 3 iterations.
- iteration 258: trace = 2.653862355632653 (2.77375e-06% change)
- linmin: converged after 3 iterations.
- iteration 259: trace = 2.653862240713912 (4.33025e-06% change)
- linmin: converged after 23 iterations.
- iteration 260: trace = 2.653862203252502 (1.41158e-06% change)
- large trace change predicted (3.1063e-06%)
- linmin: converged after 11 iterations.
- iteration 261: trace = 2.653862120817853 (3.10621e-06% change)
- linmin: converged after 22 iterations.
- iteration 262: trace = 2.653862016477676 (3.93164e-06% change)
- linmin: converged after 2 iterations.
- iteration 263: trace = 2.653861991572831 (9.38438e-07% change)
- large trace change predicted (3.48193e-06%)
- linmin: converged after 2 iterations.
- iteration 264: trace = 2.653861899166083 (3.48197e-06% change)
- linmin: converged after 4 iterations.
- iteration 265: trace = 2.653861840486549 (2.2111e-06% change)
- linmin: converged after 10 iterations.
- iteration 266: trace = 2.653861814272776 (9.8776e-07% change)
- large trace change predicted (2.04508e-06%)
- linmin: converged after 5 iterations.
- iteration 267: trace = 2.653861759999947 (2.04505e-06% change)
- linmin: converged after 2 iterations.
- iteration 268: trace = 2.653861729712912 (1.14124e-06% change)
- linmin: converged after 7 iterations.
- iteration 269: trace = 2.653861713877479 (5.96694e-07% change)
- linmin: converged after 4 iterations.
- iteration 270: trace = 2.653861685810446 (1.05759e-06% change)
- linmin: converged after 9 iterations.
- iteration 271: trace = 2.653861676306803 (3.58106e-07% change)
- linmin: converged after 2 iterations.
- iteration 272: trace = 2.653861664510934 (4.44479e-07% change)
- linmin: converged after 2 iterations.
- iteration 273: trace = 2.653861651288211 (4.98245e-07% change)
- linmin: converged after 3 iterations.
- iteration 274: trace = 2.653861645654054 (2.123e-07% change)
- linmin: converged after 9 iterations.
- iteration 275: trace = 2.653861637341998 (3.13206e-07% change)
- linmin: converged after 2 iterations.
- iteration 276: trace = 2.653861624091749 (4.99282e-07% change)
- linmin: converged after 9 iterations.
- iteration 277: trace = 2.653861619920205 (1.57188e-07% change)
- large trace change predicted (3.58256e-07%)
- linmin: converged after 7 iterations.
- iteration 278: trace = 2.653861610412518 (3.58259e-07% change)
- large trace change predicted (1.10295e-06%)
- linmin: converged after 3 iterations.
- iteration 279: trace = 2.653861581142976 (1.1029e-06% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 280: trace = 2.653861568519023 (4.75682e-07% change)
- linmin: converged after 2 iterations.
- iteration 281: trace = 2.653861552923175 (5.87666e-07% change)
- linmin: converged after 3 iterations.
- iteration 282: trace = 2.653861550081947 (1.0706e-07% change)
- large trace change predicted (3.89619e-07%)
- linmin: converged after 2 iterations.
- iteration 283: trace = 2.653861539741979 (3.8962e-07% change)
- linmin: converged after 4 iterations.
- iteration 284: trace = 2.653861531354648 (3.16043e-07% change)
- linmin: converged after 2 iterations.
- iteration 285: trace = 2.65386152881386 (9.57393e-08% change)
- large trace change predicted (4.06609e-07%)
- linmin: converged after 4 iterations.
- iteration 286: trace = 2.653861518023042 (4.06608e-07% change)
- linmin: converged after 2 iterations.
- iteration 287: trace = 2.653861510104847 (2.98365e-07% change)
- linmin: converged after 2 iterations.
- iteration 288: trace = 2.653861504210941 (2.22088e-07% change)
- large trace change predicted (4.8236e-07%)
- linmin: converged after 3 iterations.
- iteration 289: trace = 2.653861491409842 (4.82357e-07% change)
- linmin: converged after 30 iterations.
- iteration 290: trace = 2.653861478284371 (4.9458e-07% change)
- linmin: converged after 3 iterations.
- iteration 291: trace = 2.653861467601732 (4.02532e-07% change)
- large trace change predicted (9.49786e-07%)
- linmin: converged after 2 iterations.
- iteration 292: trace = 2.653861442395627 (9.4979e-07% change)
- linmin: converged after 3 iterations.
- iteration 293: trace = 2.653861432703633 (3.65203e-07% change)
- large trace change predicted (9.25801e-07%)
- linmin: converged after 2 iterations.
- iteration 294: trace = 2.653861408134078 (9.25804e-07% change)
- linmin: converged after 4 iterations.
- iteration 295: trace = 2.653861380954655 (1.02415e-06% change)
- linmin: converged after 2 iterations.
- iteration 296: trace = 2.653861370695237 (3.86585e-07% change)
- large trace change predicted (9.44367e-07%)
- linmin: converged after 22 iterations.
- iteration 297: trace = 2.653861345633382 (9.44354e-07% change)
- linmin: converged after 2 iterations.
- iteration 298: trace = 2.653861318083348 (1.03811e-06% change)
- linmin: converged after 23 iterations.
- iteration 299: trace = 2.653861309051124 (3.40343e-07% change)
- large trace change predicted (1.07811e-06%)
- linmin: converged after 3 iterations.
- iteration 300: trace = 2.653861280439376 (1.07812e-06% change)
- linmin: converged after 6 iterations.
- iteration 301: trace = 2.653861270422227 (3.77456e-07% change)
- linmin: converged after 5 iterations.
- iteration 302: trace = 2.653861257326721 (4.93451e-07% change)
- linmin: converged after 7 iterations.
- iteration 303: trace = 2.65386123993884 (6.55192e-07% change)
- linmin: converged after 5 iterations.
- iteration 304: trace = 2.653861237092904 (1.07238e-07% change)
- large trace change predicted (4.3725e-07%)
- linmin: converged after 2 iterations.
- iteration 305: trace = 2.653861225488783 (4.37254e-07% change)
- linmin: converged after 16 iterations.
- iteration 306: trace = 2.653861218875002 (2.49214e-07% change)
- linmin: converged after 4 iterations.
- iteration 307: trace = 2.653861216125898 (1.03589e-07% change)
- large trace change predicted (3.37229e-07%)
- linmin: converged after 4 iterations.
- iteration 308: trace = 2.653861207176281 (3.3723e-07% change)
- linmin: converged after 2 iterations.
- iteration 309: trace = 2.653861195835507 (4.27331e-07% change)
- linmin: converged after 4 iterations.
- iteration 310: trace = 2.653861185390587 (3.93574e-07% change)
- linmin: converged after 20 iterations.
- iteration 311: trace = 2.653861181517468 (1.45943e-07% change)
- large trace change predicted (4.49566e-07%)
- linmin: converged after 12 iterations.
- iteration 312: trace = 2.653861169586719 (4.49562e-07% change)
- linmin: converged after 3 iterations.
- iteration 313: trace = 2.653861159056564 (3.96786e-07% change)
- linmin: converged after 4 iterations.
- iteration 314: trace = 2.653861150358439 (3.27754e-07% change)
- linmin: converged after 9 iterations.
- iteration 315: trace = 2.653861134494232 (5.97778e-07% change)
- linmin: converged after 6 iterations.
- iteration 316: trace = 2.653861129798115 (1.76954e-07% change)
- large trace change predicted (5.85662e-07%)
- linmin: converged after 2 iterations.
- iteration 317: trace = 2.653861114255452 (5.85662e-07% change)
- linmin: converged after 4 iterations.
- iteration 318: trace = 2.653861101105498 (4.95503e-07% change)
- linmin: converged after 7 iterations.
- iteration 319: trace = 2.653861097243125 (1.45538e-07% change)
- large trace change predicted (4.93621e-07%)
- linmin: converged after 2 iterations.
- iteration 320: trace = 2.653861084143064 (4.93623e-07% change)
- linmin: converged after 4 iterations.
- iteration 321: trace = 2.65386107569902 (3.1818e-07% change)
- linmin: converged after 3 iterations.
- iteration 322: trace = 2.65386106993409 (2.17228e-07% change)
- linmin: converged after 10 iterations.
- iteration 323: trace = 2.653861063492937 (2.42709e-07% change)
- linmin: converged after 6 iterations.
- iteration 324: trace = 2.653861060759012 (1.03017e-07% change)
- linmin: converged after 4 iterations.
- iteration 325: trace = 2.65386105919477 (5.89421e-08% change)
- linmin: converged after 3 iterations.
- iteration 326: trace = 2.653861056255077 (1.1077e-07% change)
- linmin: converged after 3 iterations.
- iteration 327: trace = 2.653861055133477 (4.22629e-08% change)
- linmin: converged after 3 iterations.
- iteration 328: trace = 2.653861053319638 (6.83472e-08% change)
- linmin: converged after 3 iterations.
- iteration 329: trace = 2.653861051562423 (6.62135e-08% change)
- linmin: converged after 4 iterations.
- iteration 330: trace = 2.653861050695187 (3.26783e-08% change)
- large trace change predicted (7.69361e-08%)
- linmin: converged after 2 iterations.
- iteration 331: trace = 2.65386104865341 (7.69361e-08% change)
- linmin: converged after 6 iterations.
- iteration 332: trace = 2.653861046058223 (9.77891e-08% change)
- linmin: converged after 7 iterations.
- iteration 333: trace = 2.65386104531301 (2.80803e-08% change)
- large trace change predicted (1.40742e-07%)
- linmin: converged after 4 iterations.
- iteration 334: trace = 2.653861041577919 (1.40742e-07% change)
- linmin: converged after 3 iterations.
- iteration 335: trace = 2.653861040199561 (5.19379e-08% change)
- large trace change predicted (1.39089e-07%)
- linmin: converged after 2 iterations.
- iteration 336: trace = 2.653861036508313 (1.3909e-07% change)
- linmin: converged after 3 iterations.
- iteration 337: trace = 2.653861031266001 (1.97535e-07% change)
- linmin: converged after 3 iterations.
- iteration 338: trace = 2.653861027833178 (1.29352e-07% change)
- linmin: converged after 4 iterations.
- iteration 339: trace = 2.653861026543587 (4.8593e-08% change)
- large trace change predicted (1.67193e-07%)
- linmin: converged after 2 iterations.
- iteration 340: trace = 2.653861022106503 (1.67194e-07% change)
- linmin: converged after 2 iterations.
- iteration 341: trace = 2.653861019531463 (9.703e-08% change)
- linmin: converged after 2 iterations.
- iteration 342: trace = 2.653861018135178 (5.26133e-08% change)
- linmin: converged after 12 iterations.
- iteration 343: trace = 2.653861016177038 (7.37846e-08% change)
- linmin: converged after 2 iterations.
- iteration 344: trace = 2.653861014648154 (5.76098e-08% change)
- linmin: converged after 4 iterations.
- iteration 345: trace = 2.653861013532381 (4.20434e-08% change)
- linmin: converged after 6 iterations.
- iteration 346: trace = 2.653861011643799 (7.11635e-08% change)
- linmin: converged after 22 iterations.
- iteration 347: trace = 2.653861011277629 (1.37976e-08% change)
- large trace change predicted (4.42078e-08%)
- linmin: converged after 4 iterations.
- iteration 348: trace = 2.653861010104421 (4.42076e-08% change)
- linmin: converged after 33 iterations.
- iteration 349: trace = 2.653861008396412 (6.43594e-08% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 350: trace = 2.653861007754014 (2.42062e-08% change)
- linmin: converged after 8 iterations.
- iteration 351: trace = 2.653861006535373 (4.59195e-08% change)
- linmin: converged after 4 iterations.
- iteration 352: trace = 2.653861006230148 (1.15012e-08% change)
- large trace change predicted (2.70606e-08%)
- linmin: converged after 4 iterations.
- iteration 353: trace = 2.653861005511998 (2.70606e-08% change)
- linmin: converged after 2 iterations.
- iteration 354: trace = 2.653861004289522 (4.6064e-08% change)
- linmin: converged after 3 iterations.
- iteration 355: trace = 2.653861003843425 (1.68094e-08% change)
- large trace change predicted (5.15511e-08%)
- linmin: converged after 3 iterations.
- iteration 356: trace = 2.65386100247533 (5.15511e-08% change)
- linmin: converged after 3 iterations.
- iteration 357: trace = 2.653861000928064 (5.83025e-08% change)
- linmin: converged after 2 iterations.
- iteration 358: trace = 2.653861000299797 (2.36737e-08% change)
- large trace change predicted (7.03634e-08%)
- linmin: converged after 4 iterations.
- iteration 359: trace = 2.653860998432446 (7.03635e-08% change)
- linmin: converged after 2 iterations.
- iteration 360: trace = 2.653860996431212 (7.54084e-08% change)
- linmin: converged after 31 iterations.
- iteration 361: trace = 2.653860995858524 (2.15794e-08% change)
- large trace change predicted (7.98723e-08%)
- linmin: converged after 3 iterations.
- iteration 362: trace = 2.653860993738825 (7.98723e-08% change)
- linmin: converged after 3 iterations.
- iteration 363: trace = 2.653860991674018 (7.78039e-08% change)
- linmin: converged after 4 iterations.
- iteration 364: trace = 2.653860991143573 (1.99877e-08% change)
- large trace change predicted (6.45968e-08%)
- linmin: converged after 3 iterations.
- iteration 365: trace = 2.653860989429274 (6.45964e-08% change)
- linmin: converged after 3 iterations.
- iteration 366: trace = 2.653860988471134 (3.61036e-08% change)
- linmin: converged after 20 iterations.
- iteration 367: trace = 2.653860988073512 (1.49828e-08% change)
- large trace change predicted (3.7511e-08%)
- linmin: converged after 3 iterations.
- iteration 368: trace = 2.653860987078027 (3.75108e-08% change)
- linmin: converged after 3 iterations.
- iteration 369: trace = 2.653860986528396 (2.07106e-08% change)
- linmin: converged after 21 iterations.
- iteration 370: trace = 2.653860986091291 (1.64705e-08% change)
- linmin: converged after 23 iterations.
- iteration 371: trace = 2.653860985561272 (1.99716e-08% change)
- linmin: converged after 29 iterations.
- iteration 372: trace = 2.653860985383989 (6.68016e-09% change)
- large trace change predicted (1.83114e-08%)
- linmin: converged after 8 iterations.
- iteration 373: trace = 2.653860984898031 (1.83114e-08% change)
- linmin: converged after 3 iterations.
- iteration 374: trace = 2.653860983994281 (3.40542e-08% change)
- linmin: converged after 27 iterations.
- iteration 375: trace = 2.653860983793793 (7.55456e-09% change)
- large trace change predicted (3.92558e-08%)
- linmin: converged after 17 iterations.
- iteration 376: trace = 2.653860982751998 (3.92558e-08% change)
- linmin: converged after 3 iterations.
- iteration 377: trace = 2.653860981700241 (3.96312e-08% change)
- linmin: converged after 3 iterations.
- iteration 378: trace = 2.653860981342773 (1.34697e-08% change)
- large trace change predicted (7.87387e-08%)
- linmin: converged after 2 iterations.
- iteration 379: trace = 2.653860979253156 (7.87387e-08% change)
- linmin: converged after 4 iterations.
- iteration 380: trace = 2.653860977426804 (6.88187e-08% change)
- linmin: converged after 31 iterations.
- iteration 381: trace = 2.653860976150081 (4.81081e-08% change)
- linmin: converged after 2 iterations.
- iteration 382: trace = 2.653860975561217 (2.2189e-08% change)
- large trace change predicted (6.88371e-08%)
- linmin: converged after 2 iterations.
- iteration 383: trace = 2.653860973734375 (6.88371e-08% change)
- linmin: converged after 4 iterations.
- iteration 384: trace = 2.653860973144445 (2.22291e-08% change)
- large trace change predicted (4.78977e-08%)
- linmin: converged after 3 iterations.
- iteration 385: trace = 2.653860971873308 (4.78976e-08% change)
- linmin: converged after 18 iterations.
- iteration 386: trace = 2.653860970464415 (5.30884e-08% change)
- linmin: converged after 4 iterations.
- iteration 387: trace = 2.653860970196491 (1.00956e-08% change)
- large trace change predicted (2.94344e-08%)
- linmin: converged after 2 iterations.
- iteration 388: trace = 2.653860969415343 (2.94344e-08% change)
- linmin: converged after 6 iterations.
- iteration 389: trace = 2.653860969163304 (9.4971e-09% change)
- linmin: converged after 3 iterations.
- iteration 390: trace = 2.653860968721931 (1.66313e-08% change)
- linmin: converged after 19 iterations.
- iteration 391: trace = 2.653860968230719 (1.85093e-08% change)
- linmin: converged after 4 iterations.
- iteration 392: trace = 2.653860967829862 (1.51046e-08% change)
- linmin: converged after 13 iterations.
- iteration 393: trace = 2.65386096771474 (4.33791e-09% change)
- large trace change predicted (1.12064e-08%)
- linmin: converged after 21 iterations.
- iteration 394: trace = 2.653860967417339 (1.12064e-08% change)
- linmin: converged after 4 iterations.
- iteration 395: trace = 2.653860967038607 (1.4271e-08% change)
- linmin: converged after 8 iterations.
- iteration 396: trace = 2.653860966876808 (6.09674e-09% change)
- large trace change predicted (1.97519e-08%)
- linmin: converged after 6 iterations.
- iteration 397: trace = 2.653860966352622 (1.97518e-08% change)
- linmin: converged after 2 iterations.
- iteration 398: trace = 2.653860965948724 (1.52193e-08% change)
- linmin: converged after 22 iterations.
- iteration 399: trace = 2.653860965594904 (1.33323e-08% change)
- linmin: converged after 13 iterations.
- iteration 400: trace = 2.653860965067367 (1.98781e-08% change)
- linmin: converged after 3 iterations.
- iteration 401: trace = 2.653860964527554 (2.03407e-08% change)
- linmin: converged after 4 iterations.
- iteration 402: trace = 2.653860964359456 (6.33409e-09% change)
- large trace change predicted (2.74226e-08%)
- linmin: converged after 14 iterations.
- iteration 403: trace = 2.653860963631696 (2.74227e-08% change)
- linmin: converged after 5 iterations.
- iteration 404: trace = 2.653860963365124 (1.00447e-08% change)
- linmin: converged after 2 iterations.
- iteration 405: trace = 2.653860963154491 (7.93685e-09% change)
- large trace change predicted (1.78088e-08%)
- linmin: converged after 4 iterations.
- iteration 406: trace = 2.653860962681867 (1.78089e-08% change)
- linmin: converged after 6 iterations.
- iteration 407: trace = 2.653860962585241 (3.64095e-09% change)
- large trace change predicted (1.08445e-08%)
- linmin: converged after 7 iterations.
- iteration 408: trace = 2.653860962297444 (1.08444e-08% change)
- linmin: converged after 3 iterations.
- iteration 409: trace = 2.653860962043317 (9.57574e-09% change)
- linmin: converged after 15 iterations.
- iteration 410: trace = 2.653860961998546 (1.68702e-09% change)
- large trace change predicted (6.55028e-09%)
- linmin: converged after 6 iterations.
- iteration 411: trace = 2.653860961824712 (6.55022e-09% change)
- linmin: converged after 4 iterations.
- iteration 412: trace = 2.653860961729741 (3.57862e-09% change)
- linmin: converged after 7 iterations.
- iteration 413: trace = 2.653860961681473 (1.81877e-09% change)
- large trace change predicted (4.09145e-09%)
- linmin: converged after 16 iterations.
- iteration 414: trace = 2.65386096157289 (4.09152e-09% change)
- linmin: converged after 4 iterations.
- iteration 415: trace = 2.653860961525542 (1.78411e-09% change)
- linmin: converged after 6 iterations.
- iteration 416: trace = 2.653860961441487 (3.16725e-09% change)
- linmin: converged after 15 iterations.
- iteration 417: trace = 2.653860961369957 (2.69531e-09% change)
- linmin: converged after 7 iterations.
- iteration 418: trace = 2.653860961265035 (3.95359e-09% change)
- linmin: converged after 5 iterations.
- iteration 419: trace = 2.653860961233102 (1.20325e-09% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 420: trace = 2.65386096120336 (1.12069e-09% change)
- large trace change predicted (3.0261e-09%)
- linmin: converged after 5 iterations.
- iteration 421: trace = 2.653860961123051 (3.02612e-09% change)
- linmin: converged after 6 iterations.
- iteration 422: trace = 2.653860961055666 (2.53916e-09% change)
- linmin: converged after 14 iterations.
- iteration 423: trace = 2.653860961002318 (2.01019e-09% change)
- linmin: converged after 3 iterations.
- iteration 424: trace = 2.65386096095672 (1.71817e-09% change)
- linmin: converged after 4 iterations.
- iteration 425: trace = 2.653860960878584 (2.94426e-09% change)
- linmin: converged after 4 iterations.
- iteration 426: trace = 2.653860960854664 (9.01311e-10% change)
- large trace change predicted (3.79323e-09%)
- linmin: converged after 15 iterations.
- iteration 427: trace = 2.653860960753998 (3.79321e-09% change)
- linmin: converged after 13 iterations.
- iteration 428: trace = 2.653860960664026 (3.3902e-09% change)
- linmin: converged after 4 iterations.
- iteration 429: trace = 2.653860960621721 (1.59412e-09% change)
- large trace change predicted (6.53699e-09%)
- linmin: converged after 12 iterations.
- iteration 430: trace = 2.653860960448237 (6.53704e-09% change)
- linmin: converged after 3 iterations.
- iteration 431: trace = 2.653860960384427 (2.40443e-09% change)
- large trace change predicted (5.68384e-09%)
- linmin: converged after 3 iterations.
- iteration 432: trace = 2.653860960233586 (5.68382e-09% change)
- linmin: converged after 2 iterations.
- iteration 433: trace = 2.653860960021614 (7.98731e-09% change)
- linmin: converged after 16 iterations.
- iteration 434: trace = 2.653860959944636 (2.9006e-09% change)
- large trace change predicted (5.95357e-09%)
- linmin: converged after 2 iterations.
- iteration 435: trace = 2.653860959786638 (5.95348e-09% change)
- linmin: converged after 18 iterations.
- iteration 436: trace = 2.653860959587209 (7.51469e-09% change)
- linmin: converged after 6 iterations.
- iteration 437: trace = 2.653860959529844 (2.16158e-09% change)
- large trace change predicted (7.98842e-09%)
- linmin: converged after 4 iterations.
- iteration 438: trace = 2.65386095931784 (7.9885e-09% change)
- linmin: converged after 3 iterations.
- iteration 439: trace = 2.653860959204592 (4.26731e-09% change)
- linmin: converged after 8 iterations.
- iteration 440: trace = 2.653860959125839 (2.96747e-09% change)
- linmin: converged after 19 iterations.
- iteration 441: trace = 2.653860958990546 (5.09797e-09% change)
- linmin: converged after 6 iterations.
- iteration 442: trace = 2.653860958928653 (2.33219e-09% change)
- linmin: converged after 14 iterations.
- iteration 443: trace = 2.653860958835818 (3.49811e-09% change)
- linmin: converged after 22 iterations.
- iteration 444: trace = 2.653860958739894 (3.61451e-09% change)
- linmin: converged after 4 iterations.
- iteration 445: trace = 2.653860958691338 (1.82961e-09% change)
- linmin: converged after 10 iterations.
- iteration 446: trace = 2.653860958669929 (8.06732e-10% change)
- large trace change predicted (3.09935e-09%)
- linmin: converged after 15 iterations.
- iteration 447: trace = 2.653860958587675 (3.09938e-09% change)
- linmin: converged after 9 iterations.
- iteration 448: trace = 2.653860958526129 (2.31914e-09% change)
- linmin: converged after 5 iterations.
- iteration 449: trace = 2.653860958498604 (1.03714e-09% change)
- large trace change predicted (2.66022e-09%)
- linmin: converged after 16 iterations.
- iteration 450: trace = 2.653860958428007 (2.66019e-09% change)
- linmin: converged after 19 iterations.
- iteration 451: trace = 2.65386095832999 (3.69336e-09% change)
- linmin: converged after 4 iterations.
- iteration 452: trace = 2.653860958244165 (3.23397e-09% change)
- linmin: converged after 21 iterations.
- iteration 453: trace = 2.65386095817442 (2.62804e-09% change)
- linmin: converged after 4 iterations.
- iteration 454: trace = 2.653860958047139 (4.79608e-09% change)
- linmin: converged after 3 iterations.
- iteration 455: trace = 2.653860958009575 (1.41544e-09% change)
- large trace change predicted (4.03173e-09%)
- linmin: converged after 9 iterations.
- iteration 456: trace = 2.653860957902578 (4.03175e-09% change)
- linmin: converged after 16 iterations.
- iteration 457: trace = 2.653860957804056 (3.71242e-09% change)
- linmin: converged after 6 iterations.
- iteration 458: trace = 2.653860957777444 (1.00273e-09% change)
- large trace change predicted (3.00003e-09%)
- linmin: converged after 4 iterations.
- iteration 459: trace = 2.653860957697827 (3.00005e-09% change)
- linmin: converged after 3 iterations.
- iteration 460: trace = 2.653860957604774 (3.50633e-09% change)
- linmin: converged after 10 iterations.
- iteration 461: trace = 2.65386095759052 (5.37118e-10% change)
- large trace change predicted (1.62956e-09%)
- linmin: converged after 3 iterations.
- iteration 462: trace = 2.653860957547272 (1.62961e-09% change)
- linmin: converged after 3 iterations.
- iteration 463: trace = 2.653860957508931 (1.44474e-09% change)
- linmin: converged after 14 iterations.
- iteration 464: trace = 2.653860957501165 (2.92606e-10% change)
- large trace change predicted (1.00201e-09%)
- linmin: converged after 4 iterations.
- iteration 465: trace = 2.653860957474572 (1.00208e-09% change)
- linmin: converged after 7 iterations.
- iteration 466: trace = 2.653860957459918 (5.52145e-10% change)
- linmin: converged after 15 iterations.
- iteration 467: trace = 2.653860957450697 (3.47459e-10% change)
- linmin: converged after 5 iterations.
- iteration 468: trace = 2.653860957437653 (4.91536e-10% change)
- linmin: converged after 6 iterations.
- iteration 469: trace = 2.653860957429698 (2.99751e-10% change)
- linmin: converged after 6 iterations.
- iteration 470: trace = 2.653860957415155 (5.47979e-10% change)
- linmin: converged after 2 iterations.
- iteration 471: trace = 2.653860957395375 (7.45336e-10% change)
- linmin: converged after 9 iterations.
- iteration 472: trace = 2.653860957389842 (2.08485e-10% change)
- large trace change predicted (9.08118e-10%)
- linmin: converged after 6 iterations.
- iteration 473: trace = 2.653860957365741 (9.08155e-10% change)
- linmin: converged after 3 iterations.
- iteration 474: trace = 2.653860957341259 (9.22512e-10% change)
- linmin: converged after 6 iterations.
- iteration 475: trace = 2.653860957332617 (3.25638e-10% change)
- large trace change predicted (1.53152e-09%)
- linmin: converged after 6 iterations.
- iteration 476: trace = 2.653860957291968 (1.53169e-09% change)
- linmin: converged after 3 iterations.
- iteration 477: trace = 2.653860957263744 (1.06351e-09% change)
- linmin: converged after 5 iterations.
- iteration 478: trace = 2.653860957229201 (1.30161e-09% change)
- linmin: converged after 4 iterations.
- iteration 479: trace = 2.653860957221559 (2.87954e-10% change)
- large trace change predicted (9.55324e-10%)
- linmin: converged after 4 iterations.
- iteration 480: trace = 2.653860957196203 (9.55444e-10% change)
- linmin: converged after 6 iterations.
- iteration 481: trace = 2.653860957171275 (9.39279e-10% change)
- linmin: converged after 3 iterations.
- iteration 482: trace = 2.653860957165084 (2.33301e-10% change)
- large trace change predicted (8.92355e-10%)
- linmin: converged after 4 iterations.
- iteration 483: trace = 2.653860957141402 (8.92358e-10% change)
- linmin: converged after 13 iterations.
- iteration 484: trace = 2.653860957132954 (3.18325e-10% change)
- linmin: converged after 3 iterations.
- iteration 485: trace = 2.65386095712573 (2.72207e-10% change)
- linmin: converged after 5 iterations.
- iteration 486: trace = 2.653860957117032 (3.27763e-10% change)
- linmin: converged after 7 iterations.
- iteration 487: trace = 2.65386095711466 (8.93747e-11% change)
-Finished solving for bands 1 to 10 after 487 iterations.
-tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323
-elapsed time for k point: 4.5631959438323975
-solve_kpoint (0.333333,0.333333,0):
-Solving for bands 1 to 10...
- linmin: converged after 5 iterations.
- iteration 1: trace = 2.767191359900659 (3.67887% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 2.669057064223724 (3.61037% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 2.6036257943754 (2.4819% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.589397473453344 (0.547978% change)
- linmin: converged after 11 iterations.
- iteration 5: trace = 2.564425798223957 (0.969054% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 2.56227099255405 (0.0840621% change)
- large trace change predicted (0.183586%)
- linmin: converged after 4 iterations.
- iteration 7: trace = 2.557519451191472 (0.185615% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.553381147519061 (0.16194% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.551758112059498 (0.0635844% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.548676087501944 (0.120853% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.547042194197328 (0.0641281% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.545109356631263 (0.0759144% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.543744816460272 (0.0536286% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 2.543493514467712 (0.0098797% change)
- large trace change predicted (0.0326856%)
- linmin: converged after 4 iterations.
- iteration 15: trace = 2.542654794913648 (0.0329805% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 2.542233369303156 (0.0165756% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 2.54198941747568 (0.00959643% change)
- large trace change predicted (0.0296921%)
- linmin: converged after 4 iterations.
- iteration 18: trace = 2.541222802269298 (0.0301626% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 2.540916664973665 (0.0120476% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 2.540420029329066 (0.0195474% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 2.540069529024041 (0.0137979% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.539913073190493 (0.0061597% change)
- large trace change predicted (0.0132669%)
- linmin: converged after 3 iterations.
- iteration 23: trace = 2.539574117819785 (0.013346% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 2.53932004151427 (0.0100052% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 2.539190024559254 (0.00512028% change)
- large trace change predicted (0.0109152%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 2.538911967599464 (0.0109512% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 2.538826425514922 (0.0033693% change)
- large trace change predicted (0.00728319%)
- linmin: converged after 3 iterations.
- iteration 28: trace = 2.538640782043356 (0.00731244% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 2.538415985022709 (0.00885541% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 2.538329548016399 (0.00340521% change)
- large trace change predicted (0.0126402%)
- linmin: converged after 5 iterations.
- iteration 31: trace = 2.538007524605835 (0.0126872% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 2.537917134122857 (0.00356154% change)
- large trace change predicted (0.011859%)
- linmin: converged after 4 iterations.
- iteration 33: trace = 2.53761538877912 (0.0118902% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 2.537446537580793 (0.00665415% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 2.53733737654493 (0.0043021% change)
- large trace change predicted (0.010611%)
- linmin: converged after 3 iterations.
- iteration 36: trace = 2.537067938271674 (0.0106195% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 2.536999338605757 (0.00270393% change)
- large trace change predicted (0.0111008%)
- linmin: converged after 6 iterations.
- iteration 38: trace = 2.536717301342011 (0.0111176% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 2.536633649504292 (0.0032977% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 2.536477740090534 (0.0061465% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 2.536329147050624 (0.00585842% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 2.536150129902496 (0.00705837% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 2.535989187472811 (0.00634614% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 2.535865636101641 (0.00487204% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 2.535703129977313 (0.00640852% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 2.535652164602485 (0.00200993% change)
- large trace change predicted (0.00754011%)
- linmin: converged after 4 iterations.
- iteration 47: trace = 2.535461020443776 (0.00753855% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 2.535421690439817 (0.00155121% change)
- large trace change predicted (0.00506197%)
- linmin: converged after 3 iterations.
- iteration 49: trace = 2.535293406506491 (0.0050598% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 2.53521276212383 (0.00318092% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 2.535125004471859 (0.00346161% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 2.534950838492999 (0.00687035% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 2.534873055670356 (0.00306846% change)
- large trace change predicted (0.00863854%)
- linmin: converged after 4 iterations.
- iteration 54: trace = 2.534655203323289 (0.00859458% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 2.534598318427521 (0.00224431% change)
- large trace change predicted (0.00574944%)
- linmin: converged after 4 iterations.
- iteration 56: trace = 2.534453093072873 (0.00572988% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 2.534390064333639 (0.00248691% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 2.534330715143176 (0.00234178% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 2.534233925355487 (0.00381922% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 2.534207639918007 (0.00103722% change)
- large trace change predicted (0.00309781%)
- linmin: converged after 3 iterations.
- iteration 61: trace = 2.534129177793587 (0.00309617% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 2.534095627014707 (0.00132397% change)
- large trace change predicted (0.00285521%)
- linmin: converged after 4 iterations.
- iteration 63: trace = 2.534023338423374 (0.00285268% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 2.533957962271697 (0.00257997% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 2.533883349405139 (0.00294456% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 2.533772553908711 (0.00437265% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 2.533730619638856 (0.00165503% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 2.53365910557683 (0.00282252% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 2.533617326462081 (0.00164898% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 70: trace = 2.533588468127561 (0.00113902% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 2.533564612631144 (0.000941574% change)
- linmin: converged after 5 iterations.
- iteration 72: trace = 2.533539565827279 (0.000988604% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 2.533522851944827 (0.000659707% change)
- large trace change predicted (0.00183858%)
- linmin: converged after 3 iterations.
- iteration 74: trace = 2.533476190230128 (0.00184179% change)
- linmin: converged after 5 iterations.
- iteration 75: trace = 2.533464116338791 (0.000476575% change)
- large trace change predicted (0.0027524%)
- linmin: converged after 3 iterations.
- iteration 76: trace = 2.533394140496579 (0.0027621% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 2.533360152124861 (0.00134162% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 2.533332216909686 (0.0011027% change)
- large trace change predicted (0.00246271%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 2.533269550951909 (0.00247369% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 2.53321757351669 (0.00205181% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 2.533191311732387 (0.0010367% change)
- large trace change predicted (0.00237279%)
- linmin: converged after 4 iterations.
- iteration 82: trace = 2.533130954946341 (0.00238267% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 2.533112979858068 (0.000709602% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 2.53308883005004 (0.000953369% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 2.533060203136364 (0.00113013% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 2.533052321591619 (0.000311148% change)
- large trace change predicted (0.000755847%)
- linmin: converged after 3 iterations.
- iteration 87: trace = 2.533033164984285 (0.000756269% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 2.533014475231882 (0.000737844% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 2.533001356101632 (0.000517927% change)
- linmin: converged after 5 iterations.
- iteration 90: trace = 2.532976196411763 (0.000993281% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 2.532972346128114 (0.000152006% change)
- large trace change predicted (0.000749754%)
- linmin: converged after 4 iterations.
- iteration 92: trace = 2.532953368903722 (0.000749211% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 2.53293491010202 (0.000728749% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 2.532926881902547 (0.000316953% change)
- large trace change predicted (0.00178242%)
- linmin: converged after 4 iterations.
- iteration 95: trace = 2.532881914444002 (0.00177533% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 2.53285830046675 (0.000932301% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 2.532819784042777 (0.00152068% change)
- linmin: converged after 4 iterations.
- iteration 98: trace = 2.532786188462793 (0.00132642% change)
- linmin: converged after 7 iterations.
- iteration 99: trace = 2.532774276665058 (0.000470305% change)
- large trace change predicted (0.00101682%)
- linmin: converged after 4 iterations.
- iteration 100: trace = 2.532748567800271 (0.00101505% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 2.532735567534749 (0.000513288% change)
- linmin: converged after 8 iterations.
- iteration 102: trace = 2.53272593241923 (0.000380424% change)
- linmin: converged after 3 iterations.
- iteration 103: trace = 2.532712921241087 (0.000513724% change)
- linmin: converged after 3 iterations.
- iteration 104: trace = 2.532704524689957 (0.000331525% change)
- linmin: converged after 3 iterations.
- iteration 105: trace = 2.532697408516166 (0.000280972% change)
- large trace change predicted (0.000634814%)
- linmin: converged after 3 iterations.
- iteration 106: trace = 2.53268133815653 (0.000634518% change)
- linmin: converged after 3 iterations.
- iteration 107: trace = 2.532678232660709 (0.000122617% change)
- large trace change predicted (0.00036579%)
- linmin: converged after 7 iterations.
- iteration 108: trace = 2.532668970184757 (0.000365719% change)
- linmin: converged after 5 iterations.
- iteration 109: trace = 2.5326625880607 (0.000251992% change)
- linmin: converged after 3 iterations.
- iteration 110: trace = 2.532659590556519 (0.000118354% change)
- large trace change predicted (0.000484599%)
- linmin: converged after 3 iterations.
- iteration 111: trace = 2.532647313475453 (0.000484752% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 2.532643041072099 (0.000168693% change)
- large trace change predicted (0.00119252%)
- linmin: converged after 3 iterations.
- iteration 113: trace = 2.532612820652287 (0.00119324% change)
- linmin: converged after 3 iterations.
- iteration 114: trace = 2.532592046086573 (0.000820285% change)
- linmin: converged after 3 iterations.
- iteration 115: trace = 2.532581446501127 (0.000418528% change)
- large trace change predicted (0.00102425%)
- linmin: converged after 3 iterations.
- iteration 116: trace = 2.532555476505645 (0.00102544% change)
- linmin: converged after 3 iterations.
- iteration 117: trace = 2.532535088789213 (0.000805029% change)
- linmin: converged after 3 iterations.
- iteration 118: trace = 2.532524446015346 (0.000420243% change)
- linmin: converged after 6 iterations.
- iteration 119: trace = 2.532503170490255 (0.000840095% change)
- linmin: converged after 4 iterations.
- iteration 120: trace = 2.532499362408514 (0.000150368% change)
- large trace change predicted (0.000429286%)
- linmin: converged after 4 iterations.
- iteration 121: trace = 2.532488488638697 (0.00042937% change)
- linmin: converged after 3 iterations.
- iteration 122: trace = 2.532482069110036 (0.000253487% change)
- linmin: converged after 7 iterations.
- iteration 123: trace = 2.532479968273738 (8.29557e-05% change)
- large trace change predicted (0.000283652%)
- linmin: converged after 3 iterations.
- iteration 124: trace = 2.532472781286882 (0.000283793% change)
- linmin: converged after 3 iterations.
- iteration 125: trace = 2.532467453403485 (0.000210383% change)
- linmin: converged after 3 iterations.
- iteration 126: trace = 2.532465630899168 (7.19656e-05% change)
- large trace change predicted (0.000443994%)
- linmin: converged after 3 iterations.
- iteration 127: trace = 2.532454369363875 (0.000444688% change)
- linmin: converged after 3 iterations.
- iteration 128: trace = 2.532452533273903 (7.25024e-05% change)
- large trace change predicted (0.00033789%)
- linmin: converged after 7 iterations.
- iteration 129: trace = 2.532443971907508 (0.000338067% change)
- linmin: converged after 3 iterations.
- iteration 130: trace = 2.532434760005974 (0.000363756% change)
- linmin: converged after 3 iterations.
- iteration 131: trace = 2.532431818985799 (0.000116134% change)
- large trace change predicted (0.000512254%)
- linmin: converged after 4 iterations.
- iteration 132: trace = 2.532418827376971 (0.000513011% change)
- linmin: converged after 4 iterations.
- iteration 133: trace = 2.53241349546081 (0.000210547% change)
- large trace change predicted (0.000489508%)
- linmin: converged after 4 iterations.
- iteration 134: trace = 2.532401094202394 (0.000489702% change)
- linmin: converged after 4 iterations.
- iteration 135: trace = 2.532386160309443 (0.000589715% change)
- linmin: converged after 5 iterations.
- iteration 136: trace = 2.532381530256168 (0.000182834% change)
- linmin: converged after 4 iterations.
- iteration 137: trace = 2.532372862130214 (0.000342292% change)
- linmin: converged after 4 iterations.
- iteration 138: trace = 2.532367974423152 (0.000193009% change)
- linmin: converged after 3 iterations.
- iteration 139: trace = 2.532366678583778 (5.11711e-05% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 140: trace = 2.5323656712027 (3.97802e-05% change)
- linmin: converged after 10 iterations.
- iteration 141: trace = 2.532363827393374 (7.28098e-05% change)
- linmin: converged after 5 iterations.
- iteration 142: trace = 2.532360999875571 (0.000111655% change)
- linmin: converged after 4 iterations.
- iteration 143: trace = 2.532359796989182 (4.75006e-05% change)
- large trace change predicted (0.000180444%)
- linmin: converged after 3 iterations.
- iteration 144: trace = 2.532355227940748 (0.000180427% change)
- linmin: converged after 4 iterations.
- iteration 145: trace = 2.532352211255246 (0.000119126% change)
- linmin: converged after 4 iterations.
- iteration 146: trace = 2.532349362290318 (0.000112503% change)
- large trace change predicted (0.000233004%)
- linmin: converged after 3 iterations.
- iteration 147: trace = 2.532343463407119 (0.000232941% change)
- linmin: converged after 4 iterations.
- iteration 148: trace = 2.532342115130471 (5.32423e-05% change)
- large trace change predicted (0.000204419%)
- linmin: converged after 3 iterations.
- iteration 149: trace = 2.532336939884447 (0.000204366% change)
- linmin: converged after 3 iterations.
- iteration 150: trace = 2.53233335996828 (0.000141368% change)
- linmin: converged after 3 iterations.
- iteration 151: trace = 2.532332046545821 (5.18661e-05% change)
- large trace change predicted (0.000151303%)
- linmin: converged after 3 iterations.
- iteration 152: trace = 2.532328217478827 (0.000151207% change)
- linmin: converged after 3 iterations.
- iteration 153: trace = 2.532325426354618 (0.00011022% change)
- linmin: converged after 4 iterations.
- iteration 154: trace = 2.532323591078181 (7.2474e-05% change)
- linmin: converged after 6 iterations.
- iteration 155: trace = 2.532320460236503 (0.000123635% change)
- linmin: converged after 3 iterations.
- iteration 156: trace = 2.532319684421553 (3.06365e-05% change)
- linmin: converged after 3 iterations.
- iteration 157: trace = 2.53231850448854 (4.6595e-05% change)
- linmin: converged after 4 iterations.
- iteration 158: trace = 2.532316968026178 (6.06742e-05% change)
- linmin: converged after 5 iterations.
- iteration 159: trace = 2.532316667577852 (1.18646e-05% change)
- large trace change predicted (5.68741e-05%)
- linmin: converged after 5 iterations.
- iteration 160: trace = 2.532315227301718 (5.68758e-05% change)
- linmin: converged after 10 iterations.
- iteration 161: trace = 2.532314452183978 (3.06091e-05% change)
- linmin: converged after 4 iterations.
- iteration 162: trace = 2.532313521937153 (3.67351e-05% change)
- large trace change predicted (8.54363e-05%)
- linmin: converged after 3 iterations.
- iteration 163: trace = 2.532311358502254 (8.54332e-05% change)
- linmin: converged after 9 iterations.
- iteration 164: trace = 2.532309834643512 (6.01766e-05% change)
- linmin: converged after 2 iterations.
- iteration 165: trace = 2.532308435807828 (5.52395e-05% change)
- large trace change predicted (0.000170648%)
- linmin: converged after 3 iterations.
- iteration 166: trace = 2.532304113761198 (0.000170676% change)
- linmin: converged after 4 iterations.
- iteration 167: trace = 2.532303035533439 (4.25789e-05% change)
- large trace change predicted (0.000112857%)
- linmin: converged after 4 iterations.
- iteration 168: trace = 2.532300177212031 (0.000112874% change)
- linmin: converged after 3 iterations.
- iteration 169: trace = 2.532297956753474 (8.76855e-05% change)
- linmin: converged after 2 iterations.
- iteration 170: trace = 2.532297190420216 (3.02624e-05% change)
- large trace change predicted (6.61834e-05%)
- linmin: converged after 3 iterations.
- iteration 171: trace = 2.532295514663681 (6.61754e-05% change)
- linmin: converged after 3 iterations.
- iteration 172: trace = 2.53229378477196 (6.83132e-05% change)
- linmin: converged after 3 iterations.
- iteration 173: trace = 2.53229233940271 (5.70775e-05% change)
- linmin: converged after 3 iterations.
- iteration 174: trace = 2.532290202829727 (8.43731e-05% change)
- linmin: converged after 3 iterations.
- iteration 175: trace = 2.532289883242941 (1.26205e-05% change)
- large trace change predicted (5.84582e-05%)
- linmin: converged after 3 iterations.
- iteration 176: trace = 2.532288402834586 (5.84613e-05% change)
- linmin: converged after 4 iterations.
- iteration 177: trace = 2.532287712160898 (2.72747e-05% change)
- linmin: converged after 3 iterations.
- iteration 178: trace = 2.532287402678403 (1.22215e-05% change)
- large trace change predicted (4.26133e-05%)
- linmin: converged after 3 iterations.
- iteration 179: trace = 2.532286323488426 (4.26172e-05% change)
- linmin: converged after 3 iterations.
- iteration 180: trace = 2.532285455180427 (3.42895e-05% change)
- linmin: converged after 3 iterations.
- iteration 181: trace = 2.532284512810181 (3.72142e-05% change)
- large trace change predicted (0.000114098%)
- linmin: converged after 3 iterations.
- iteration 182: trace = 2.532281620534402 (0.000114216% change)
- linmin: converged after 3 iterations.
- iteration 183: trace = 2.532280807946858 (3.20892e-05% change)
- large trace change predicted (0.000118636%)
- linmin: converged after 4 iterations.
- iteration 184: trace = 2.532277799570789 (0.000118801% change)
- linmin: converged after 4 iterations.
- iteration 185: trace = 2.532275098425584 (0.000106669% change)
- linmin: converged after 4 iterations.
- iteration 186: trace = 2.532274133967233 (3.80866e-05% change)
- large trace change predicted (0.00010206%)
- linmin: converged after 14 iterations.
- iteration 187: trace = 2.532271546585648 (0.000102176% change)
- linmin: converged after 4 iterations.
- iteration 188: trace = 2.532270062907924 (5.85908e-05% change)
- linmin: converged after 5 iterations.
- iteration 189: trace = 2.532268229544497 (7.24e-05% change)
- linmin: converged after 3 iterations.
- iteration 190: trace = 2.532265425303058 (0.00011074% change)
- linmin: converged after 4 iterations.
- iteration 191: trace = 2.532264922135603 (1.98703e-05% change)
- large trace change predicted (5.89621e-05%)
- linmin: converged after 3 iterations.
- iteration 192: trace = 2.53226342902136 (5.89636e-05% change)
- linmin: converged after 3 iterations.
- iteration 193: trace = 2.532262589103189 (3.31687e-05% change)
- linmin: converged after 5 iterations.
- iteration 194: trace = 2.532262136739078 (1.7864e-05% change)
- large trace change predicted (4.74429e-05%)
- linmin: converged after 4 iterations.
- iteration 195: trace = 2.53226093556069 (4.7435e-05% change)
- linmin: converged after 3 iterations.
- iteration 196: trace = 2.532260514572423 (1.6625e-05% change)
- large trace change predicted (5.60629e-05%)
- linmin: converged after 4 iterations.
- iteration 197: trace = 2.532259095148723 (5.60536e-05% change)
- linmin: converged after 3 iterations.
- iteration 198: trace = 2.532257795808561 (5.13115e-05% change)
- linmin: converged after 16 iterations.
- iteration 199: trace = 2.532257349839052 (1.76115e-05% change)
- large trace change predicted (5.00381e-05%)
- linmin: converged after 5 iterations.
- iteration 200: trace = 2.532256083315164 (5.00156e-05% change)
- linmin: converged after 4 iterations.
- iteration 201: trace = 2.53225471311544 (5.41099e-05% change)
- linmin: converged after 5 iterations.
- iteration 202: trace = 2.532254055080478 (2.59861e-05% change)
- large trace change predicted (7.93994e-05%)
- linmin: converged after 4 iterations.
- iteration 203: trace = 2.532252046538988 (7.93184e-05% change)
- linmin: converged after 4 iterations.
- iteration 204: trace = 2.532251132078102 (3.61126e-05% change)
- large trace change predicted (8.34618e-05%)
- linmin: converged after 5 iterations.
- iteration 205: trace = 2.532249020689084 (8.338e-05% change)
- linmin: converged after 14 iterations.
- iteration 206: trace = 2.532247674082002 (5.31783e-05% change)
- linmin: converged after 4 iterations.
- iteration 207: trace = 2.532247142085046 (2.10089e-05% change)
- linmin: converged after 5 iterations.
- iteration 208: trace = 2.532246410139991 (2.8905e-05% change)
- linmin: converged after 4 iterations.
- iteration 209: trace = 2.532245665239943 (2.94166e-05% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 210: trace = 2.532245345449662 (1.26287e-05% change)
- linmin: converged after 9 iterations.
- iteration 211: trace = 2.532244899809545 (1.75986e-05% change)
- linmin: converged after 2 iterations.
- iteration 212: trace = 2.532244695798735 (8.05652e-06% change)
- large trace change predicted (1.94182e-05%)
- linmin: converged after 3 iterations.
- iteration 213: trace = 2.532244204011934 (1.9421e-05% change)
- linmin: converged after 3 iterations.
- iteration 214: trace = 2.53224352686151 (2.67411e-05% change)
- linmin: converged after 3 iterations.
- iteration 215: trace = 2.532243327629037 (7.86782e-06% change)
- large trace change predicted (3.44148e-05%)
- linmin: converged after 3 iterations.
- iteration 216: trace = 2.532242455904719 (3.4425e-05% change)
- linmin: converged after 3 iterations.
- iteration 217: trace = 2.532241893073738 (2.22266e-05% change)
- linmin: converged after 4 iterations.
- iteration 218: trace = 2.532241540381099 (1.39281e-05% change)
- linmin: converged after 4 iterations.
- iteration 219: trace = 2.532240847812051 (2.735e-05% change)
- linmin: converged after 4 iterations.
- iteration 220: trace = 2.532240502077886 (1.36533e-05% change)
- linmin: converged after 4 iterations.
- iteration 221: trace = 2.532239869330575 (2.49876e-05% change)
- linmin: converged after 6 iterations.
- iteration 222: trace = 2.532239139337781 (2.8828e-05% change)
- linmin: converged after 4 iterations.
- iteration 223: trace = 2.532238929368865 (8.29183e-06% change)
- large trace change predicted (2.61701e-05%)
- linmin: converged after 4 iterations.
- iteration 224: trace = 2.532238266463561 (2.61786e-05% change)
- linmin: converged after 3 iterations.
- iteration 225: trace = 2.53223793257309 (1.31856e-05% change)
- linmin: converged after 4 iterations.
- iteration 226: trace = 2.532237643121048 (1.14307e-05% change)
- linmin: converged after 3 iterations.
- iteration 227: trace = 2.53223733580369 (1.21362e-05% change)
- linmin: converged after 4 iterations.
- iteration 228: trace = 2.532237055924255 (1.10527e-05% change)
- linmin: converged after 5 iterations.
- iteration 229: trace = 2.532236979449607 (3.02004e-06% change)
- large trace change predicted (1.51042e-05%)
- linmin: converged after 5 iterations.
- iteration 230: trace = 2.53223659699959 (1.51032e-05% change)
- linmin: converged after 12 iterations.
- iteration 231: trace = 2.532236530951999 (2.60827e-06% change)
- large trace change predicted (1.41746e-05%)
- linmin: converged after 5 iterations.
- iteration 232: trace = 2.532236172095298 (1.41715e-05% change)
- linmin: converged after 4 iterations.
- iteration 233: trace = 2.532235854177413 (1.25548e-05% change)
- linmin: converged after 4 iterations.
- iteration 234: trace = 2.532235719088886 (5.33475e-06% change)
- large trace change predicted (1.82457e-05%)
- linmin: converged after 5 iterations.
- iteration 235: trace = 2.532235257295151 (1.82366e-05% change)
- linmin: converged after 4 iterations.
- iteration 236: trace = 2.532234707562479 (2.17094e-05% change)
- linmin: converged after 4 iterations.
- iteration 237: trace = 2.532234531669597 (6.94615e-06% change)
- large trace change predicted (1.71871e-05%)
- linmin: converged after 6 iterations.
- iteration 238: trace = 2.532234096642287 (1.71796e-05% change)
- linmin: converged after 6 iterations.
- iteration 239: trace = 2.532233937626063 (6.27968e-06% change)
- linmin: converged after 3 iterations.
- iteration 240: trace = 2.532233784020798 (6.066e-06% change)
- linmin: converged after 4 iterations.
- iteration 241: trace = 2.532233579794711 (8.06506e-06% change)
- linmin: converged after 10 iterations.
- iteration 242: trace = 2.532233484638245 (3.75781e-06% change)
- linmin: converged after 4 iterations.
- iteration 243: trace = 2.53223335469467 (5.13158e-06% change)
- linmin: converged after 10 iterations.
- iteration 244: trace = 2.53223313150978 (8.81376e-06% change)
- linmin: converged after 8 iterations.
- iteration 245: trace = 2.532233101193213 (1.19723e-06% change)
- large trace change predicted (6.51414e-06%)
- linmin: converged after 5 iterations.
- iteration 246: trace = 2.532232936256826 (6.51348e-06% change)
- linmin: converged after 6 iterations.
- iteration 247: trace = 2.532232878239224 (2.29116e-06% change)
- linmin: converged after 6 iterations.
- iteration 248: trace = 2.532232795963472 (3.24914e-06% change)
- linmin: converged after 3 iterations.
- iteration 249: trace = 2.532232690068687 (4.18187e-06% change)
- linmin: converged after 3 iterations.
- iteration 250: trace = 2.532232634361 (2.19994e-06% change)
- large trace change predicted (6.51456e-06%)
- linmin: converged after 4 iterations.
- iteration 251: trace = 2.532232469379299 (6.51527e-06% change)
- linmin: converged after 13 iterations.
- iteration 252: trace = 2.532232171498215 (1.17636e-05% change)
- linmin: converged after 4 iterations.
- iteration 253: trace = 2.532232090922851 (3.18199e-06% change)
- large trace change predicted (1.30667e-05%)
- linmin: converged after 7 iterations.
- iteration 254: trace = 2.532231760069726 (1.30657e-05% change)
- linmin: converged after 9 iterations.
- iteration 255: trace = 2.532231539224154 (8.72138e-06% change)
- linmin: converged after 4 iterations.
- iteration 256: trace = 2.532231468457076 (2.79465e-06% change)
- large trace change predicted (5.60886e-06%)
- linmin: converged after 3 iterations.
- iteration 257: trace = 2.532231326428751 (5.60882e-06% change)
- linmin: converged after 2 iterations.
- iteration 258: trace = 2.532231207253 (4.70635e-06% change)
- linmin: converged after 17 iterations.
- iteration 259: trace = 2.532231177541257 (1.17334e-06% change)
- large trace change predicted (4.44584e-06%)
- linmin: converged after 16 iterations.
- iteration 260: trace = 2.532231064958411 (4.44599e-06% change)
- linmin: converged after 5 iterations.
- iteration 261: trace = 2.532230986862467 (3.08408e-06% change)
- linmin: converged after 12 iterations.
- iteration 262: trace = 2.5322309632879 (9.3098e-07% change)
- large trace change predicted (3.2661e-06%)
- linmin: converged after 7 iterations.
- iteration 263: trace = 2.532230880576092 (3.26636e-06% change)
- linmin: converged after 2 iterations.
- iteration 264: trace = 2.532230807471777 (2.88695e-06% change)
- linmin: converged after 6 iterations.
- iteration 265: trace = 2.532230779813869 (1.09223e-06% change)
- large trace change predicted (6.33723e-06%)
- linmin: converged after 3 iterations.
- iteration 266: trace = 2.532230619326621 (6.33778e-06% change)
- linmin: converged after 26 iterations.
- iteration 267: trace = 2.532230594093199 (9.9649e-07% change)
- large trace change predicted (6.44572e-06%)
- linmin: converged after 6 iterations.
- iteration 268: trace = 2.532230430863963 (6.44607e-06% change)
- linmin: converged after 5 iterations.
- iteration 269: trace = 2.53223033140914 (3.92756e-06% change)
- linmin: converged after 4 iterations.
- iteration 270: trace = 2.532230289677092 (1.64804e-06% change)
- large trace change predicted (6.77669e-06%)
- linmin: converged after 3 iterations.
- iteration 271: trace = 2.532230118058079 (6.77739e-06% change)
- linmin: converged after 9 iterations.
- iteration 272: trace = 2.532229989424859 (5.07984e-06% change)
- linmin: converged after 4 iterations.
- iteration 273: trace = 2.532229883447351 (4.18515e-06% change)
- linmin: converged after 4 iterations.
- iteration 274: trace = 2.532229738918634 (5.70757e-06% change)
- linmin: converged after 4 iterations.
- iteration 275: trace = 2.532229696400672 (1.67907e-06% change)
- large trace change predicted (3.58218e-06%)
- linmin: converged after 3 iterations.
- iteration 276: trace = 2.532229605686134 (3.5824e-06% change)
- linmin: converged after 19 iterations.
- iteration 277: trace = 2.532229549961051 (2.20063e-06% change)
- linmin: converged after 4 iterations.
- iteration 278: trace = 2.532229529455688 (8.09775e-07% change)
- large trace change predicted (4.12313e-06%)
- linmin: converged after 21 iterations.
- iteration 279: trace = 2.532229425049344 (4.1231e-06% change)
- resetting CG direction...
- linmin: converged after 17 iterations.
- iteration 280: trace = 2.532229362204813 (2.48179e-06% change)
- linmin: converged after 4 iterations.
- iteration 281: trace = 2.532229350153655 (4.75911e-07% change)
- large trace change predicted (1.67039e-06%)
- linmin: converged after 3 iterations.
- iteration 282: trace = 2.532229307855861 (1.67038e-06% change)
- linmin: converged after 17 iterations.
- iteration 283: trace = 2.532229254072699 (2.12395e-06% change)
- linmin: converged after 7 iterations.
- iteration 284: trace = 2.532229231474435 (8.92426e-07% change)
- large trace change predicted (3.1065e-06%)
- linmin: converged after 6 iterations.
- iteration 285: trace = 2.532229152810758 (3.1065e-06% change)
- linmin: converged after 4 iterations.
- iteration 286: trace = 2.532229109479215 (1.7112e-06% change)
- large trace change predicted (3.49746e-06%)
- linmin: converged after 6 iterations.
- iteration 287: trace = 2.532229020913346 (3.49755e-06% change)
- linmin: converged after 3 iterations.
- iteration 288: trace = 2.532228933740109 (3.44255e-06% change)
- linmin: converged after 12 iterations.
- iteration 289: trace = 2.53222889713511 (1.44556e-06% change)
- linmin: converged after 8 iterations.
- iteration 290: trace = 2.532228825799343 (2.81711e-06% change)
- linmin: converged after 3 iterations.
- iteration 291: trace = 2.532228755625285 (2.77124e-06% change)
- linmin: converged after 6 iterations.
- iteration 292: trace = 2.532228736767303 (7.44719e-07% change)
- large trace change predicted (3.00507e-06%)
- linmin: converged after 7 iterations.
- iteration 293: trace = 2.532228660678591 (3.00481e-06% change)
- linmin: converged after 4 iterations.
- iteration 294: trace = 2.532228623543513 (1.4665e-06% change)
- linmin: converged after 6 iterations.
- iteration 295: trace = 2.532228592945206 (1.20835e-06% change)
- linmin: converged after 4 iterations.
- iteration 296: trace = 2.53222856418664 (1.1357e-06% change)
- linmin: converged after 9 iterations.
- iteration 297: trace = 2.532228553659108 (4.15742e-07% change)
- large trace change predicted (9.04462e-07%)
- linmin: converged after 3 iterations.
- iteration 298: trace = 2.532228530756682 (9.04438e-07% change)
- linmin: converged after 4 iterations.
- iteration 299: trace = 2.532228493908192 (1.45518e-06% change)
- linmin: converged after 5 iterations.
- iteration 300: trace = 2.532228484872204 (3.56839e-07% change)
- large trace change predicted (1.54468e-06%)
- linmin: converged after 3 iterations.
- iteration 301: trace = 2.532228445757557 (1.54467e-06% change)
- linmin: converged after 8 iterations.
- iteration 302: trace = 2.532228398579518 (1.8631e-06% change)
- linmin: converged after 3 iterations.
- iteration 303: trace = 2.532228375061216 (9.28759e-07% change)
- large trace change predicted (2.40083e-06%)
- linmin: converged after 3 iterations.
- iteration 304: trace = 2.532228314269831 (2.40071e-06% change)
- linmin: converged after 15 iterations.
- iteration 305: trace = 2.532228278825191 (1.39974e-06% change)
- linmin: converged after 6 iterations.
- iteration 306: trace = 2.532228231187256 (1.88127e-06% change)
- linmin: converged after 8 iterations.
- iteration 307: trace = 2.532228155039439 (3.00715e-06% change)
- linmin: converged after 4 iterations.
- iteration 308: trace = 2.532228098603846 (2.22869e-06% change)
- linmin: converged after 16 iterations.
- iteration 309: trace = 2.532228090223597 (3.30944e-07% change)
- large trace change predicted (1.12239e-06%)
- linmin: converged after 4 iterations.
- iteration 310: trace = 2.532228061802467 (1.12238e-06% change)
- linmin: converged after 5 iterations.
- iteration 311: trace = 2.532228037889213 (9.44356e-07% change)
- linmin: converged after 4 iterations.
- iteration 312: trace = 2.532228030532646 (2.90518e-07% change)
- large trace change predicted (1.35133e-06%)
- linmin: converged after 8 iterations.
- iteration 313: trace = 2.532227996313136 (1.35136e-06% change)
- linmin: converged after 5 iterations.
- iteration 314: trace = 2.532227981769021 (5.7436e-07% change)
- large trace change predicted (1.58129e-06%)
- linmin: converged after 13 iterations.
- iteration 315: trace = 2.532227941725563 (1.58135e-06% change)
- linmin: converged after 4 iterations.
- iteration 316: trace = 2.532227904101084 (1.48583e-06% change)
- linmin: converged after 4 iterations.
- iteration 317: trace = 2.532227887641151 (6.50018e-07% change)
- large trace change predicted (1.68426e-06%)
- linmin: converged after 5 iterations.
- iteration 318: trace = 2.532227844987628 (1.68443e-06% change)
- linmin: converged after 4 iterations.
- iteration 319: trace = 2.532227801022949 (1.73621e-06% change)
- linmin: converged after 3 iterations.
- iteration 320: trace = 2.532227786637012 (5.68114e-07% change)
- large trace change predicted (2.19015e-06%)
- linmin: converged after 4 iterations.
- iteration 321: trace = 2.532227731169816 (2.19045e-06% change)
- linmin: converged after 5 iterations.
- iteration 322: trace = 2.532227706764721 (9.6378e-07% change)
- large trace change predicted (1.98688e-06%)
- linmin: converged after 5 iterations.
- iteration 323: trace = 2.532227656443491 (1.98723e-06% change)
- linmin: converged after 3 iterations.
- iteration 324: trace = 2.532227600649281 (2.20336e-06% change)
- linmin: converged after 20 iterations.
- iteration 325: trace = 2.532227572868166 (1.0971e-06% change)
- linmin: converged after 4 iterations.
- iteration 326: trace = 2.532227558116004 (5.82576e-07% change)
- large trace change predicted (1.47491e-06%)
- linmin: converged after 6 iterations.
- iteration 327: trace = 2.532227520766182 (1.47498e-06% change)
- linmin: converged after 4 iterations.
- iteration 328: trace = 2.53222751507689 (2.24675e-07% change)
- large trace change predicted (1.10161e-06%)
- linmin: converged after 7 iterations.
- iteration 329: trace = 2.532227487181792 (1.1016e-06% change)
- linmin: converged after 4 iterations.
- iteration 330: trace = 2.532227467600348 (7.73289e-07% change)
- linmin: converged after 5 iterations.
- iteration 331: trace = 2.532227456960113 (4.20193e-07% change)
- large trace change predicted (1.04908e-06%)
- linmin: converged after 5 iterations.
- iteration 332: trace = 2.532227430395588 (1.04906e-06% change)
- linmin: converged after 6 iterations.
- iteration 333: trace = 2.532227394851205 (1.40368e-06% change)
- linmin: converged after 14 iterations.
- iteration 334: trace = 2.532227385067134 (3.86382e-07% change)
- large trace change predicted (2.53429e-06%)
- linmin: converged after 7 iterations.
- iteration 335: trace = 2.532227320902832 (2.53391e-06% change)
- linmin: converged after 5 iterations.
- iteration 336: trace = 2.532227305219125 (6.19364e-07% change)
- large trace change predicted (1.72038e-06%)
- linmin: converged after 17 iterations.
- iteration 337: trace = 2.532227261657944 (1.72027e-06% change)
- linmin: converged after 3 iterations.
- iteration 338: trace = 2.532227223570452 (1.50411e-06% change)
- linmin: converged after 4 iterations.
- iteration 339: trace = 2.532227213967092 (3.79246e-07% change)
- large trace change predicted (1.16087e-06%)
- linmin: converged after 5 iterations.
- iteration 340: trace = 2.53222718457211 (1.16084e-06% change)
- linmin: converged after 5 iterations.
- iteration 341: trace = 2.532227156275118 (1.11747e-06% change)
- linmin: converged after 9 iterations.
- iteration 342: trace = 2.532227148450816 (3.08989e-07% change)
- large trace change predicted (9.66064e-07%)
- linmin: converged after 5 iterations.
- iteration 343: trace = 2.532227123988557 (9.66037e-07% change)
- linmin: converged after 5 iterations.
- iteration 344: trace = 2.532227107010383 (6.70484e-07% change)
- linmin: converged after 4 iterations.
- iteration 345: trace = 2.532227095890339 (4.39141e-07% change)
- linmin: converged after 8 iterations.
- iteration 346: trace = 2.532227080349761 (6.13712e-07% change)
- linmin: converged after 4 iterations.
- iteration 347: trace = 2.532227076250968 (1.61865e-07% change)
- linmin: converged after 2 iterations.
- iteration 348: trace = 2.532227068112935 (3.21378e-07% change)
- large trace change predicted (8.70544e-07%)
- linmin: converged after 9 iterations.
- iteration 349: trace = 2.532227046068919 (8.70539e-07% change)
- resetting CG direction...
- linmin: converged after 6 iterations.
- iteration 350: trace = 2.532227041253952 (1.90148e-07% change)
- large trace change predicted (5.24462e-07%)
- linmin: converged after 3 iterations.
- iteration 351: trace = 2.532227027973468 (5.24459e-07% change)
- linmin: converged after 4 iterations.
- iteration 352: trace = 2.532227020012078 (3.14403e-07% change)
- linmin: converged after 3 iterations.
- iteration 353: trace = 2.532227015957442 (1.60121e-07% change)
- large trace change predicted (4.28601e-07%)
- linmin: converged after 7 iterations.
- iteration 354: trace = 2.532227005104187 (4.28605e-07% change)
- linmin: converged after 13 iterations.
- iteration 355: trace = 2.532226996652225 (3.33776e-07% change)
- linmin: converged after 8 iterations.
- iteration 356: trace = 2.532226987561438 (3.59004e-07% change)
- linmin: converged after 8 iterations.
- iteration 357: trace = 2.532226969413104 (7.16695e-07% change)
- linmin: converged after 4 iterations.
- iteration 358: trace = 2.532226965678333 (1.4749e-07% change)
- large trace change predicted (5.70213e-07%)
- linmin: converged after 11 iterations.
- iteration 359: trace = 2.532226951238592 (5.70239e-07% change)
- linmin: converged after 4 iterations.
- iteration 360: trace = 2.532226936960811 (5.63843e-07% change)
- linmin: converged after 21 iterations.
- iteration 361: trace = 2.53222693253943 (1.74604e-07% change)
- large trace change predicted (7.64604e-07%)
- linmin: converged after 5 iterations.
- iteration 362: trace = 2.532226913176651 (7.64654e-07% change)
- linmin: converged after 2 iterations.
- iteration 363: trace = 2.532226900874408 (4.85827e-07% change)
- linmin: converged after 7 iterations.
- iteration 364: trace = 2.532226889402457 (4.53038e-07% change)
- linmin: converged after 6 iterations.
- iteration 365: trace = 2.532226871634764 (7.01663e-07% change)
- linmin: converged after 15 iterations.
- iteration 366: trace = 2.532226865149388 (2.56114e-07% change)
- linmin: converged after 4 iterations.
- iteration 367: trace = 2.532226858083303 (2.79046e-07% change)
- linmin: converged after 3 iterations.
- iteration 368: trace = 2.532226849760441 (3.28678e-07% change)
- linmin: converged after 4 iterations.
- iteration 369: trace = 2.532226846290662 (1.37025e-07% change)
- linmin: converged after 10 iterations.
- iteration 370: trace = 2.532226840160222 (2.42097e-07% change)
- linmin: converged after 4 iterations.
- iteration 371: trace = 2.53222683497562 (2.04745e-07% change)
- linmin: converged after 4 iterations.
- iteration 372: trace = 2.532226831176658 (1.50025e-07% change)
- linmin: converged after 22 iterations.
- iteration 373: trace = 2.532226823812367 (2.90823e-07% change)
- linmin: converged after 4 iterations.
- iteration 374: trace = 2.532226820168667 (1.43893e-07% change)
- linmin: converged after 2 iterations.
- iteration 375: trace = 2.532226817017566 (1.2444e-07% change)
- large trace change predicted (4.75244e-07%)
- linmin: converged after 4 iterations.
- iteration 376: trace = 2.532226804984404 (4.75201e-07% change)
- linmin: converged after 9 iterations.
- iteration 377: trace = 2.532226793615652 (4.48963e-07% change)
- linmin: converged after 4 iterations.
- iteration 378: trace = 2.532226791481499 (8.42797e-08% change)
- large trace change predicted (3.01751e-07%)
- linmin: converged after 13 iterations.
- iteration 379: trace = 2.532226783840986 (3.01731e-07% change)
- linmin: converged after 5 iterations.
- iteration 380: trace = 2.53222677825189 (2.20719e-07% change)
- linmin: converged after 11 iterations.
- iteration 381: trace = 2.532226776198825 (8.10774e-08% change)
- large trace change predicted (3.09645e-07%)
- linmin: converged after 4 iterations.
- iteration 382: trace = 2.532226768358376 (3.09627e-07% change)
- linmin: converged after 4 iterations.
- iteration 383: trace = 2.532226764050359 (1.70128e-07% change)
- linmin: converged after 6 iterations.
- iteration 384: trace = 2.532226761490044 (1.01109e-07% change)
- large trace change predicted (2.35328e-07%)
- linmin: converged after 3 iterations.
- iteration 385: trace = 2.532226755531154 (2.35322e-07% change)
- linmin: converged after 4 iterations.
- iteration 386: trace = 2.532226754606565 (3.65129e-08% change)
- large trace change predicted (1.73932e-07%)
- linmin: converged after 13 iterations.
- iteration 387: trace = 2.532226750202272 (1.7393e-07% change)
- linmin: converged after 4 iterations.
- iteration 388: trace = 2.532226748583039 (6.3945e-08% change)
- linmin: converged after 6 iterations.
- iteration 389: trace = 2.532226746769836 (7.16051e-08% change)
- linmin: converged after 4 iterations.
- iteration 390: trace = 2.532226743674155 (1.22251e-07% change)
- linmin: converged after 7 iterations.
- iteration 391: trace = 2.532226742822863 (3.36183e-08% change)
- large trace change predicted (1.553e-07%)
- linmin: converged after 7 iterations.
- iteration 392: trace = 2.532226738890259 (1.55302e-07% change)
- linmin: converged after 12 iterations.
- iteration 393: trace = 2.532226733157526 (2.26391e-07% change)
- linmin: converged after 5 iterations.
- iteration 394: trace = 2.532226731881656 (5.03853e-08% change)
- large trace change predicted (2.38712e-07%)
- linmin: converged after 16 iterations.
- iteration 395: trace = 2.532226725836817 (2.38716e-07% change)
- linmin: converged after 10 iterations.
- iteration 396: trace = 2.532226721303406 (1.79029e-07% change)
- linmin: converged after 3 iterations.
- iteration 397: trace = 2.532226720021591 (5.06201e-08% change)
- large trace change predicted (1.64248e-07%)
- linmin: converged after 7 iterations.
- iteration 398: trace = 2.53222671586235 (1.64252e-07% change)
- linmin: converged after 18 iterations.
- iteration 399: trace = 2.532226712848004 (1.19039e-07% change)
- linmin: converged after 10 iterations.
- iteration 400: trace = 2.532226711845361 (3.95953e-08% change)
- large trace change predicted (8.97363e-08%)
- linmin: converged after 13 iterations.
- iteration 401: trace = 2.532226709573011 (8.97372e-08% change)
- linmin: converged after 8 iterations.
- iteration 402: trace = 2.532226708190714 (5.45882e-08% change)
- linmin: converged after 4 iterations.
- iteration 403: trace = 2.532226707175363 (4.00972e-08% change)
- linmin: converged after 6 iterations.
- iteration 404: trace = 2.532226705422322 (6.92292e-08% change)
- linmin: converged after 4 iterations.
- iteration 405: trace = 2.532226703386372 (8.04016e-08% change)
- linmin: converged after 15 iterations.
- iteration 406: trace = 2.532226702543767 (3.32753e-08% change)
- large trace change predicted (1.27052e-07%)
- linmin: converged after 7 iterations.
- iteration 407: trace = 2.532226699326492 (1.27053e-07% change)
- linmin: converged after 7 iterations.
- iteration 408: trace = 2.53222669796431 (5.37939e-08% change)
- linmin: converged after 7 iterations.
- iteration 409: trace = 2.53222669554264 (9.5634e-08% change)
- linmin: converged after 6 iterations.
- iteration 410: trace = 2.53222669284764 (1.06428e-07% change)
- linmin: converged after 11 iterations.
- iteration 411: trace = 2.532226691335092 (5.97319e-08% change)
- large trace change predicted (1.24133e-07%)
- linmin: converged after 4 iterations.
- iteration 412: trace = 2.532226688191721 (1.24135e-07% change)
- linmin: converged after 14 iterations.
- iteration 413: trace = 2.532226684404653 (1.49555e-07% change)
- linmin: converged after 4 iterations.
- iteration 414: trace = 2.532226683623242 (3.08587e-08% change)
- large trace change predicted (1.27284e-07%)
- linmin: converged after 5 iterations.
- iteration 415: trace = 2.532226680400108 (1.27285e-07% change)
- linmin: converged after 4 iterations.
- iteration 416: trace = 2.532226679110584 (5.09245e-08% change)
- linmin: converged after 8 iterations.
- iteration 417: trace = 2.532226677977577 (4.47435e-08% change)
- linmin: converged after 3 iterations.
- iteration 418: trace = 2.532226676546075 (5.65314e-08% change)
- linmin: converged after 4 iterations.
- iteration 419: trace = 2.53222667592058 (2.47014e-08% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 420: trace = 2.532226675493463 (1.68673e-08% change)
- large trace change predicted (3.87553e-08%)
- linmin: converged after 6 iterations.
- iteration 421: trace = 2.532226674512091 (3.87553e-08% change)
- linmin: converged after 6 iterations.
- iteration 422: trace = 2.532226673922648 (2.32776e-08% change)
- linmin: converged after 4 iterations.
- iteration 423: trace = 2.532226672942695 (3.86992e-08% change)
- large trace change predicted (8.20289e-08%)
- linmin: converged after 4 iterations.
- iteration 424: trace = 2.53222667086553 (8.20292e-08% change)
- linmin: converged after 4 iterations.
- iteration 425: trace = 2.532226670389969 (1.87803e-08% change)
- large trace change predicted (9.7365e-08%)
- linmin: converged after 4 iterations.
- iteration 426: trace = 2.532226667924473 (9.73648e-08% change)
- linmin: converged after 4 iterations.
- iteration 427: trace = 2.53222666650955 (5.58766e-08% change)
- linmin: converged after 6 iterations.
- iteration 428: trace = 2.532226665027508 (5.85272e-08% change)
- linmin: converged after 4 iterations.
- iteration 429: trace = 2.532226663124199 (7.51635e-08% change)
- linmin: converged after 7 iterations.
- iteration 430: trace = 2.532226662147229 (3.85814e-08% change)
- linmin: converged after 7 iterations.
- iteration 431: trace = 2.532226660826446 (5.2159e-08% change)
- linmin: converged after 4 iterations.
- iteration 432: trace = 2.532226659094629 (6.83911e-08% change)
- linmin: converged after 5 iterations.
- iteration 433: trace = 2.532226658647822 (1.76448e-08% change)
- large trace change predicted (5.71739e-08%)
- linmin: converged after 4 iterations.
- iteration 434: trace = 2.532226657200071 (5.7173e-08% change)
- linmin: converged after 10 iterations.
- iteration 435: trace = 2.532226655897789 (5.14283e-08% change)
- linmin: converged after 4 iterations.
- iteration 436: trace = 2.532226655650127 (9.7804e-09% change)
- large trace change predicted (2.04904e-08%)
- linmin: converged after 16 iterations.
- iteration 437: trace = 2.53222665513126 (2.04906e-08% change)
- linmin: converged after 4 iterations.
- iteration 438: trace = 2.532226654220309 (3.59743e-08% change)
- linmin: converged after 4 iterations.
- iteration 439: trace = 2.532226654016821 (8.03593e-09% change)
- large trace change predicted (4.26703e-08%)
- linmin: converged after 24 iterations.
- iteration 440: trace = 2.532226652936318 (4.26701e-08% change)
- linmin: converged after 7 iterations.
- iteration 441: trace = 2.532226652307979 (2.48137e-08% change)
- linmin: converged after 22 iterations.
- iteration 442: trace = 2.532226651293117 (4.00779e-08% change)
- linmin: converged after 7 iterations.
- iteration 443: trace = 2.532226649812017 (5.849e-08% change)
- linmin: converged after 6 iterations.
- iteration 444: trace = 2.532226648554367 (4.96658e-08% change)
- linmin: converged after 12 iterations.
- iteration 445: trace = 2.532226647525179 (4.06436e-08% change)
- linmin: converged after 8 iterations.
- iteration 446: trace = 2.532226645471285 (8.11102e-08% change)
- linmin: converged after 3 iterations.
- iteration 447: trace = 2.532226644235352 (4.88082e-08% change)
- linmin: converged after 7 iterations.
- iteration 448: trace = 2.532226643803798 (1.70424e-08% change)
- large trace change predicted (4.14197e-08%)
- linmin: converged after 5 iterations.
- iteration 449: trace = 2.532226642754956 (4.14197e-08% change)
- linmin: converged after 15 iterations.
- iteration 450: trace = 2.532226642082326 (2.65628e-08% change)
- linmin: converged after 19 iterations.
- iteration 451: trace = 2.532226641716459 (1.44484e-08% change)
- large trace change predicted (3.51394e-08%)
- linmin: converged after 4 iterations.
- iteration 452: trace = 2.532226640826662 (3.51389e-08% change)
- linmin: converged after 4 iterations.
- iteration 453: trace = 2.532226640135402 (2.72985e-08% change)
- linmin: converged after 5 iterations.
- iteration 454: trace = 2.532226639517137 (2.44159e-08% change)
- linmin: converged after 4 iterations.
- iteration 455: trace = 2.532226638282867 (4.87425e-08% change)
- linmin: converged after 4 iterations.
- iteration 456: trace = 2.532226638026622 (1.01193e-08% change)
- large trace change predicted (3.28326e-08%)
- linmin: converged after 4 iterations.
- iteration 457: trace = 2.532226637195224 (3.28327e-08% change)
- linmin: converged after 4 iterations.
- iteration 458: trace = 2.532226636264558 (3.67529e-08% change)
- linmin: converged after 8 iterations.
- iteration 459: trace = 2.532226635688844 (2.27355e-08% change)
- large trace change predicted (6.28703e-08%)
- linmin: converged after 16 iterations.
- iteration 460: trace = 2.532226634096801 (6.28712e-08% change)
- linmin: converged after 6 iterations.
- iteration 461: trace = 2.532226633566544 (2.09404e-08% change)
- large trace change predicted (6.11319e-08%)
- linmin: converged after 9 iterations.
- iteration 462: trace = 2.532226632018534 (6.11324e-08% change)
- linmin: converged after 5 iterations.
- iteration 463: trace = 2.532226630398428 (6.39795e-08% change)
- linmin: converged after 6 iterations.
- iteration 464: trace = 2.532226629990468 (1.61107e-08% change)
- large trace change predicted (3.77254e-08%)
- linmin: converged after 12 iterations.
- iteration 465: trace = 2.53222662903518 (3.77252e-08% change)
- linmin: converged after 5 iterations.
- iteration 466: trace = 2.532226628138766 (3.54002e-08% change)
- linmin: converged after 4 iterations.
- iteration 467: trace = 2.532226627861705 (1.09414e-08% change)
- large trace change predicted (2.94572e-08%)
- linmin: converged after 4 iterations.
- iteration 468: trace = 2.532226627115773 (2.94576e-08% change)
- linmin: converged after 4 iterations.
- iteration 469: trace = 2.532226626456777 (2.60244e-08% change)
- linmin: converged after 4 iterations.
- iteration 470: trace = 2.532226626319011 (5.44048e-09% change)
- large trace change predicted (2.74546e-08%)
- linmin: converged after 4 iterations.
- iteration 471: trace = 2.532226625623806 (2.74543e-08% change)
- linmin: converged after 4 iterations.
- iteration 472: trace = 2.53222662505919 (2.22972e-08% change)
- linmin: converged after 4 iterations.
- iteration 473: trace = 2.532226624813997 (9.68289e-09% change)
- large trace change predicted (3.7178e-08%)
- linmin: converged after 4 iterations.
- iteration 474: trace = 2.532226623872571 (3.71778e-08% change)
- linmin: converged after 13 iterations.
- iteration 475: trace = 2.532226622403658 (5.80087e-08% change)
- linmin: converged after 24 iterations.
- iteration 476: trace = 2.532226622168948 (9.26892e-09% change)
- large trace change predicted (4.57674e-08%)
- linmin: converged after 16 iterations.
- iteration 477: trace = 2.53222662101005 (4.5766e-08% change)
- linmin: converged after 4 iterations.
- iteration 478: trace = 2.532226620368379 (2.53402e-08% change)
- linmin: converged after 2 iterations.
- iteration 479: trace = 2.532226620116673 (9.9401e-09% change)
- large trace change predicted (3.61064e-08%)
- linmin: converged after 4 iterations.
- iteration 480: trace = 2.532226619202394 (3.61057e-08% change)
- linmin: converged after 6 iterations.
- iteration 481: trace = 2.532226618399125 (3.17218e-08% change)
- linmin: converged after 4 iterations.
- iteration 482: trace = 2.532226618157492 (9.54233e-09% change)
- large trace change predicted (2.0967e-08%)
- linmin: converged after 4 iterations.
- iteration 483: trace = 2.532226617626567 (2.09667e-08% change)
- linmin: converged after 4 iterations.
- iteration 484: trace = 2.532226617416627 (8.29073e-09% change)
- linmin: converged after 18 iterations.
- iteration 485: trace = 2.532226617137782 (1.10118e-08% change)
- linmin: converged after 13 iterations.
- iteration 486: trace = 2.532226616844827 (1.15691e-08% change)
- linmin: converged after 7 iterations.
- iteration 487: trace = 2.532226616733817 (4.38387e-09% change)
- large trace change predicted (9.37229e-09%)
- linmin: converged after 18 iterations.
- iteration 488: trace = 2.532226616496495 (9.37207e-09% change)
- large trace change predicted (3.00344e-08%)
- linmin: converged after 8 iterations.
- iteration 489: trace = 2.532226615735953 (3.00345e-08% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 490: trace = 2.532226615443588 (1.15458e-08% change)
- linmin: converged after 2 iterations.
- iteration 491: trace = 2.532226615044469 (1.57616e-08% change)
- linmin: converged after 6 iterations.
- iteration 492: trace = 2.53222661497231 (2.84965e-09% change)
- large trace change predicted (8.95187e-09%)
- linmin: converged after 6 iterations.
- iteration 493: trace = 2.53222661474563 (8.95181e-09% change)
- linmin: converged after 3 iterations.
- iteration 494: trace = 2.53222661453013 (8.5103e-09% change)
- linmin: converged after 14 iterations.
- iteration 495: trace = 2.532226614447989 (3.24381e-09% change)
- large trace change predicted (1.44164e-08%)
- linmin: converged after 4 iterations.
- iteration 496: trace = 2.532226614082933 (1.44164e-08% change)
- linmin: converged after 4 iterations.
- iteration 497: trace = 2.532226613817419 (1.04854e-08% change)
- linmin: converged after 4 iterations.
- iteration 498: trace = 2.532226613634143 (7.23776e-09% change)
- large trace change predicted (1.99518e-08%)
- linmin: converged after 4 iterations.
- iteration 499: trace = 2.532226613128916 (1.99519e-08% change)
- linmin: converged after 4 iterations.
- iteration 500: trace = 2.532226612863586 (1.04781e-08% change)
- linmin: converged after 6 iterations.
- iteration 501: trace = 2.532226612570639 (1.15688e-08% change)
- linmin: converged after 4 iterations.
- iteration 502: trace = 2.532226612226721 (1.35816e-08% change)
- linmin: converged after 8 iterations.
- iteration 503: trace = 2.532226612029891 (7.77302e-09% change)
- linmin: converged after 5 iterations.
- iteration 504: trace = 2.532226611670453 (1.41945e-08% change)
- linmin: converged after 6 iterations.
- iteration 505: trace = 2.532226611196819 (1.87043e-08% change)
- linmin: converged after 20 iterations.
- iteration 506: trace = 2.53222661112223 (2.94558e-09% change)
- large trace change predicted (1.06021e-08%)
- linmin: converged after 6 iterations.
- iteration 507: trace = 2.532226610853749 (1.06026e-08% change)
- linmin: converged after 4 iterations.
- iteration 508: trace = 2.53222661068053 (6.84059e-09% change)
- linmin: converged after 17 iterations.
- iteration 509: trace = 2.532226610616374 (2.53357e-09% change)
- large trace change predicted (8.07521e-09%)
- linmin: converged after 4 iterations.
- iteration 510: trace = 2.532226610411894 (8.07509e-09% change)
- linmin: converged after 4 iterations.
- iteration 511: trace = 2.53222661031714 (3.74196e-09% change)
- linmin: converged after 4 iterations.
- iteration 512: trace = 2.532226610182449 (5.31905e-09% change)
- linmin: converged after 4 iterations.
- iteration 513: trace = 2.532226609970626 (8.36509e-09% change)
- linmin: converged after 4 iterations.
- iteration 514: trace = 2.532226609857379 (4.47222e-09% change)
- linmin: converged after 5 iterations.
- iteration 515: trace = 2.532226609760135 (3.84027e-09% change)
- large trace change predicted (9.47579e-09%)
- linmin: converged after 4 iterations.
- iteration 516: trace = 2.532226609520188 (9.47574e-09% change)
- linmin: converged after 9 iterations.
- iteration 517: trace = 2.532226609287503 (9.18895e-09% change)
- linmin: converged after 4 iterations.
- iteration 518: trace = 2.532226609214028 (2.90158e-09% change)
- large trace change predicted (1.03335e-08%)
- linmin: converged after 4 iterations.
- iteration 519: trace = 2.53222660895237 (1.03331e-08% change)
- linmin: converged after 4 iterations.
- iteration 520: trace = 2.532226608716047 (9.33258e-09% change)
- linmin: converged after 5 iterations.
- iteration 521: trace = 2.532226608640769 (2.9728e-09% change)
- linmin: converged after 4 iterations.
- iteration 522: trace = 2.532226608517133 (4.88251e-09% change)
- linmin: converged after 4 iterations.
- iteration 523: trace = 2.532226608355188 (6.39536e-09% change)
- linmin: converged after 18 iterations.
- iteration 524: trace = 2.5322266083288 (1.0421e-09% change)
- large trace change predicted (6.24975e-09%)
- linmin: converged after 4 iterations.
- iteration 525: trace = 2.532226608170548 (6.24951e-09% change)
- linmin: converged after 25 iterations.
- iteration 526: trace = 2.532226608136921 (1.32797e-09% change)
- large trace change predicted (3.9053e-09%)
- linmin: converged after 5 iterations.
- iteration 527: trace = 2.532226608038034 (3.90513e-09% change)
- linmin: converged after 4 iterations.
- iteration 528: trace = 2.532226607956137 (3.23421e-09% change)
- linmin: converged after 4 iterations.
- iteration 529: trace = 2.532226607927542 (1.12922e-09% change)
- large trace change predicted (3.80954e-09%)
- linmin: converged after 24 iterations.
- iteration 530: trace = 2.532226607831084 (3.80921e-09% change)
- linmin: converged after 7 iterations.
- iteration 531: trace = 2.532226607755488 (2.98536e-09% change)
- linmin: converged after 5 iterations.
- iteration 532: trace = 2.532226607721565 (1.33965e-09% change)
- large trace change predicted (4.88725e-09%)
- linmin: converged after 3 iterations.
- iteration 533: trace = 2.532226607597808 (4.8873e-09% change)
- linmin: converged after 5 iterations.
- iteration 534: trace = 2.532226607522797 (2.96224e-09% change)
- linmin: converged after 26 iterations.
- iteration 535: trace = 2.53222660742734 (3.7697e-09% change)
- linmin: converged after 4 iterations.
- iteration 536: trace = 2.532226607285777 (5.59043e-09% change)
- linmin: converged after 4 iterations.
- iteration 537: trace = 2.532226607195929 (3.5482e-09% change)
- linmin: converged after 3 iterations.
- iteration 538: trace = 2.532226607145792 (1.97997e-09% change)
- linmin: converged after 25 iterations.
- iteration 539: trace = 2.532226607053331 (3.65136e-09% change)
- linmin: converged after 5 iterations.
- iteration 540: trace = 2.532226607017517 (1.41431e-09% change)
- linmin: converged after 4 iterations.
- iteration 541: trace = 2.532226606980256 (1.47148e-09% change)
- linmin: converged after 21 iterations.
- iteration 542: trace = 2.53222660692834 (2.0502e-09% change)
- linmin: converged after 7 iterations.
- iteration 543: trace = 2.532226606900785 (1.08818e-09% change)
- linmin: converged after 5 iterations.
- iteration 544: trace = 2.532226606886538 (5.6262e-10% change)
- large trace change predicted (2.71182e-09%)
- linmin: converged after 7 iterations.
- iteration 545: trace = 2.532226606817869 (2.71179e-09% change)
- linmin: converged after 3 iterations.
- iteration 546: trace = 2.532226606798261 (7.74368e-10% change)
- large trace change predicted (2.57727e-09%)
- linmin: converged after 4 iterations.
- iteration 547: trace = 2.532226606732987 (2.57771e-09% change)
- linmin: converged after 22 iterations.
- iteration 548: trace = 2.532226606654048 (3.11736e-09% change)
- linmin: converged after 4 iterations.
- iteration 549: trace = 2.53222660662761 (1.04409e-09% change)
- large trace change predicted (2.53059e-09%)
- linmin: converged after 6 iterations.
- iteration 550: trace = 2.532226606563538 (2.53024e-09% change)
- linmin: converged after 11 iterations.
- iteration 551: trace = 2.532226606482841 (3.18679e-09% change)
- linmin: converged after 4 iterations.
- iteration 552: trace = 2.532226606459311 (9.29224e-10% change)
- large trace change predicted (2.58732e-09%)
- linmin: converged after 5 iterations.
- iteration 553: trace = 2.532226606393785 (2.58769e-09% change)
- linmin: converged after 15 iterations.
- iteration 554: trace = 2.532226606306193 (3.45908e-09% change)
- linmin: converged after 10 iterations.
- iteration 555: trace = 2.532226606290174 (6.3263e-10% change)
- large trace change predicted (2.65653e-09%)
- linmin: converged after 18 iterations.
- iteration 556: trace = 2.532226606222913 (2.65618e-09% change)
- linmin: converged after 6 iterations.
- iteration 557: trace = 2.532226606201254 (8.55356e-10% change)
- linmin: converged after 4 iterations.
- iteration 558: trace = 2.532226606178723 (8.89765e-10% change)
- linmin: converged after 6 iterations.
- iteration 559: trace = 2.532226606152547 (1.0337e-09% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 560: trace = 2.532226606138769 (5.44118e-10% change)
- linmin: converged after 6 iterations.
- iteration 561: trace = 2.532226606124821 (5.50818e-10% change)
- large trace change predicted (1.15268e-09%)
- linmin: converged after 12 iterations.
- iteration 562: trace = 2.532226606095637 (1.15249e-09% change)
- linmin: converged after 21 iterations.
- iteration 563: trace = 2.532226606077214 (7.27561e-10% change)
- large trace change predicted (1.59868e-09%)
- linmin: converged after 9 iterations.
- iteration 564: trace = 2.532226606036726 (1.59891e-09% change)
- linmin: converged after 4 iterations.
- iteration 565: trace = 2.532226605987478 (1.94484e-09% change)
- linmin: converged after 3 iterations.
- iteration 566: trace = 2.532226605965412 (8.71421e-10% change)
- large trace change predicted (2.07106e-09%)
- linmin: converged after 4 iterations.
- iteration 567: trace = 2.532226605912968 (2.07106e-09% change)
- linmin: converged after 2 iterations.
- iteration 568: trace = 2.532226605884515 (1.12363e-09% change)
- linmin: converged after 4 iterations.
- iteration 569: trace = 2.532226605847781 (1.45065e-09% change)
- linmin: converged after 3 iterations.
- iteration 570: trace = 2.532226605794655 (2.09799e-09% change)
- linmin: converged after 4 iterations.
- iteration 571: trace = 2.532226605780342 (5.65251e-10% change)
- large trace change predicted (1.6543e-09%)
- linmin: converged after 4 iterations.
- iteration 572: trace = 2.532226605738452 (1.65428e-09% change)
- linmin: converged after 3 iterations.
- iteration 573: trace = 2.532226605697139 (1.63148e-09% change)
- linmin: converged after 6 iterations.
- iteration 574: trace = 2.532226605689739 (2.92227e-10% change)
- large trace change predicted (1.28387e-09%)
- linmin: converged after 18 iterations.
- iteration 575: trace = 2.532226605657222 (1.28415e-09% change)
- linmin: converged after 4 iterations.
- iteration 576: trace = 2.532226605642729 (5.72354e-10% change)
- linmin: converged after 6 iterations.
- iteration 577: trace = 2.532226605636149 (2.59836e-10% change)
- large trace change predicted (1.03721e-09%)
- linmin: converged after 18 iterations.
- iteration 578: trace = 2.532226605609885 (1.0372e-09% change)
- linmin: converged after 5 iterations.
- iteration 579: trace = 2.532226605590671 (7.58742e-10% change)
- linmin: converged after 3 iterations.
- iteration 580: trace = 2.532226605580481 (4.02433e-10% change)
- large trace change predicted (1.25496e-09%)
- linmin: converged after 6 iterations.
- iteration 581: trace = 2.532226605548697 (1.25516e-09% change)
- linmin: converged after 4 iterations.
- iteration 582: trace = 2.532226605521011 (1.09336e-09% change)
- linmin: converged after 6 iterations.
- iteration 583: trace = 2.532226605509007 (4.74056e-10% change)
- large trace change predicted (2.23151e-09%)
- linmin: converged after 3 iterations.
- iteration 584: trace = 2.5322266054525 (2.23151e-09% change)
- linmin: converged after 3 iterations.
- iteration 585: trace = 2.532226605418284 (1.35125e-09% change)
- linmin: converged after 4 iterations.
- iteration 586: trace = 2.532226605390208 (1.10874e-09% change)
- linmin: converged after 4 iterations.
- iteration 587: trace = 2.532226605345729 (1.75652e-09% change)
- linmin: converged after 4 iterations.
- iteration 588: trace = 2.532226605334294 (4.51556e-10% change)
- large trace change predicted (9.47294e-10%)
- linmin: converged after 9 iterations.
- iteration 589: trace = 2.532226605310306 (9.47323e-10% change)
- linmin: converged after 4 iterations.
- iteration 590: trace = 2.532226605289418 (8.24876e-10% change)
- linmin: converged after 8 iterations.
- iteration 591: trace = 2.532226605262301 (1.07089e-09% change)
- linmin: converged after 3 iterations.
- iteration 592: trace = 2.532226605256451 (2.31021e-10% change)
- large trace change predicted (1.16166e-09%)
- linmin: converged after 2 iterations.
- iteration 593: trace = 2.532226605227016 (1.1624e-09% change)
- linmin: converged after 4 iterations.
- iteration 594: trace = 2.532226605203669 (9.21981e-10% change)
- linmin: converged after 4 iterations.
- iteration 595: trace = 2.5322266051893 (5.67461e-10% change)
- linmin: converged after 18 iterations.
- iteration 596: trace = 2.532226605167502 (8.60846e-10% change)
- linmin: converged after 4 iterations.
- iteration 597: trace = 2.532226605147977 (7.71036e-10% change)
- linmin: converged after 7 iterations.
- iteration 598: trace = 2.53222660512347 (9.67824e-10% change)
- linmin: converged after 25 iterations.
- iteration 599: trace = 2.532226605080746 (1.68718e-09% change)
- linmin: converged after 22 iterations.
- iteration 600: trace = 2.532226605050802 (1.18252e-09% change)
- linmin: converged after 2 iterations.
- iteration 601: trace = 2.532226605034923 (6.27106e-10% change)
- large trace change predicted (1.46982e-09%)
- linmin: converged after 5 iterations.
- iteration 602: trace = 2.532226604997704 (1.46978e-09% change)
- linmin: converged after 4 iterations.
- iteration 603: trace = 2.53222660498625 (4.52345e-10% change)
- large trace change predicted (1.13497e-09%)
- linmin: converged after 6 iterations.
- iteration 604: trace = 2.532226604957511 (1.13494e-09% change)
- linmin: converged after 10 iterations.
- iteration 605: trace = 2.532226604934842 (8.95202e-10% change)
- linmin: converged after 7 iterations.
- iteration 606: trace = 2.532226604927949 (2.72217e-10% change)
- large trace change predicted (1.02475e-09%)
- linmin: converged after 16 iterations.
- iteration 607: trace = 2.532226604902005 (1.02456e-09% change)
- linmin: converged after 6 iterations.
- iteration 608: trace = 2.532226604883729 (7.21756e-10% change)
- linmin: converged after 8 iterations.
- iteration 609: trace = 2.532226604880142 (1.4165e-10% change)
- large trace change predicted (5.91534e-10%)
- linmin: converged after 10 iterations.
- iteration 610: trace = 2.532226604865174 (5.91101e-10% change)
- linmin: converged after 4 iterations.
- iteration 611: trace = 2.532226604850425 (5.82455e-10% change)
- linmin: converged after 17 iterations.
- iteration 612: trace = 2.532226604833139 (6.82612e-10% change)
- linmin: converged after 6 iterations.
- iteration 613: trace = 2.532226604825081 (3.18218e-10% change)
- large trace change predicted (1.41162e-09%)
- linmin: converged after 4 iterations.
- iteration 614: trace = 2.532226604789335 (1.41165e-09% change)
- linmin: converged after 6 iterations.
- iteration 615: trace = 2.532226604780225 (3.59764e-10% change)
- large trace change predicted (1.05301e-09%)
- linmin: converged after 4 iterations.
- iteration 616: trace = 2.532226604753558 (1.05313e-09% change)
- linmin: converged after 5 iterations.
- iteration 617: trace = 2.532226604734905 (7.3661e-10% change)
- linmin: converged after 5 iterations.
- iteration 618: trace = 2.532226604720409 (5.72477e-10% change)
- linmin: converged after 14 iterations.
- iteration 619: trace = 2.532226604707265 (5.19057e-10% change)
- linmin: converged after 2 iterations.
- iteration 620: trace = 2.532226604685252 (8.69316e-10% change)
- linmin: converged after 4 iterations.
- iteration 621: trace = 2.532226604680823 (1.74901e-10% change)
- large trace change predicted (5.75452e-10%)
- linmin: converged after 16 iterations.
- iteration 622: trace = 2.53222660466625 (5.75475e-10% change)
- linmin: converged after 8 iterations.
- iteration 623: trace = 2.532226604657313 (3.5296e-10% change)
- linmin: converged after 2 iterations.
- iteration 624: trace = 2.53222660465038 (2.73778e-10% change)
- linmin: converged after 4 iterations.
- iteration 625: trace = 2.532226604642506 (3.1094e-10% change)
- linmin: converged after 16 iterations.
- iteration 626: trace = 2.532226604635102 (2.92403e-10% change)
- linmin: converged after 6 iterations.
- iteration 627: trace = 2.532226604633134 (7.77087e-11% change)
-Finished solving for bands 1 to 10 after 627 iterations.
-tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154
-elapsed time for k point: 5.555061340332031
-solve_kpoint (0.166667,0.166667,0):
-Solving for bands 1 to 10...
- linmin: converged after 5 iterations.
- iteration 1: trace = 2.553206221680581 (2.55578% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 2.48891356078405 (2.55022% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.465199503924426 (0.957348% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 2.46084310415172 (0.176872% change)
- large trace change predicted (0.419623%)
- linmin: converged after 4 iterations.
- iteration 5: trace = 2.450658583331204 (0.414721% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 2.447937491967235 (0.111097% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 2.445239403359288 (0.11028% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.442317561097169 (0.119562% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.44140925349742 (0.0371973% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 2.439907648651203 (0.0615246% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.43940342973242 (0.0206676% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 2.438989981088599 (0.0169502% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 2.438435780755584 (0.0227251% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 2.438281780471905 (0.00631574% change)
- large trace change predicted (0.0151055%)
- linmin: converged after 3 iterations.
- iteration 15: trace = 2.437911268206205 (0.0151968% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 2.437756509718134 (0.0063482% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 2.437475062818379 (0.011546% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 2.43703304641871 (0.0181358% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 2.436850985210067 (0.00747089% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 2.436522616304453 (0.013476% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 2.436395611582169 (0.00521268% change)
- large trace change predicted (0.0178794%)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.435954737440773 (0.018097% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 2.435746548033289 (0.00854689% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 2.435488750587958 (0.0105845% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 2.435193460474172 (0.0121252% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 2.435111833144077 (0.00335204% change)
- large trace change predicted (0.0170021%)
- linmin: converged after 3 iterations.
- iteration 27: trace = 2.43469482985178 (0.0171261% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 2.434620996611131 (0.00303259% change)
- large trace change predicted (0.0100124%)
- linmin: converged after 4 iterations.
- iteration 29: trace = 2.434376912234995 (0.0100261% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 2.43419325187207 (0.00754474% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 2.434081322250106 (0.00459833% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 2.43391404623353 (0.00687248% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 2.433862509197497 (0.00211748% change)
- large trace change predicted (0.00703875%)
- linmin: converged after 3 iterations.
- iteration 34: trace = 2.433691154478418 (0.00704069% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 2.433624337505446 (0.00274554% change)
- large trace change predicted (0.00707874%)
- linmin: converged after 3 iterations.
- iteration 36: trace = 2.433451878551399 (0.00708676% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 2.433377332568779 (0.00306343% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 2.433271914661328 (0.00433226% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 2.433178259803009 (0.003849% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 2.433135884749246 (0.00174157% change)
- large trace change predicted (0.00592581%)
- linmin: converged after 3 iterations.
- iteration 41: trace = 2.432991524414242 (0.00593327% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 2.432956083904433 (0.00145667% change)
- large trace change predicted (0.00705928%)
- linmin: converged after 3 iterations.
- iteration 43: trace = 2.432784016593005 (0.00707261% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 2.432719864934984 (0.002637% change)
- large trace change predicted (0.00567874%)
- linmin: converged after 3 iterations.
- iteration 45: trace = 2.432580687348562 (0.00572123% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 2.432479379338495 (0.00416472% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 2.432285042794907 (0.00798956% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 2.432170808943507 (0.00469668% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 2.432052622647903 (0.00485941% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 2.431877546560799 (0.00719896% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 2.431795719559632 (0.00336482% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 2.431696393891712 (0.00408454% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 2.431636760277184 (0.00245238% change)
- large trace change predicted (0.00592315%)
- linmin: converged after 3 iterations.
- iteration 54: trace = 2.431492404116106 (0.00593676% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 2.431457162942928 (0.00144937% change)
- large trace change predicted (0.00664181%)
- linmin: converged after 3 iterations.
- iteration 56: trace = 2.431295745583637 (0.00663893% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 2.431257083117029 (0.00159021% change)
- large trace change predicted (0.00464796%)
- linmin: converged after 4 iterations.
- iteration 58: trace = 2.431144088626962 (0.00464768% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 2.431090062211807 (0.00222229% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 2.431016706095293 (0.00301746% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 2.430957069106225 (0.0024532% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 2.430908617688924 (0.00199312% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 2.430849646073965 (0.00242594% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 2.430813248378599 (0.00149734% change)
- linmin: converged after 5 iterations.
- iteration 65: trace = 2.43074333275598 (0.00287626% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 2.430720451057193 (0.00094135% change)
- large trace change predicted (0.00257253%)
- linmin: converged after 3 iterations.
- iteration 67: trace = 2.43065783473218 (0.00257607% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 2.430628268300632 (0.0012164% change)
- large trace change predicted (0.00251896%)
- linmin: converged after 3 iterations.
- iteration 69: trace = 2.430567036278524 (0.00251922% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 70: trace = 2.430539129163158 (0.00114818% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 2.430504616436809 (0.00141997% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 2.430479160966565 (0.00104734% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 2.430467719097353 (0.000470767% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 2.430449169402523 (0.000763218% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 2.430430819274576 (0.000755013% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 2.430421416326485 (0.000386885% change)
- large trace change predicted (0.000998674%)
- linmin: converged after 5 iterations.
- iteration 77: trace = 2.430397170000086 (0.000997623% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 2.430362071235476 (0.00144417% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 2.43034979166542 (0.000505258% change)
- large trace change predicted (0.00196789%)
- linmin: converged after 3 iterations.
- iteration 80: trace = 2.430301925051948 (0.00196956% change)
- linmin: converged after 17 iterations.
- iteration 81: trace = 2.430250561903287 (0.00211347% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 2.430233115417473 (0.000717891% change)
- large trace change predicted (0.00378132%)
- linmin: converged after 4 iterations.
- iteration 83: trace = 2.430141282638945 (0.00377884% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 2.430107729386463 (0.00138072% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 2.430052054670437 (0.00229107% change)
- linmin: converged after 5 iterations.
- iteration 86: trace = 2.430006091898554 (0.00189145% change)
- linmin: converged after 7 iterations.
- iteration 87: trace = 2.429964689274548 (0.00170382% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 2.429930838606015 (0.00139306% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 2.429891868095913 (0.00160378% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 2.429864566771172 (0.00112357% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 2.429844028648026 (0.000845241% change)
- linmin: converged after 17 iterations.
- iteration 92: trace = 2.429825124482 (0.000778002% change)
- linmin: converged after 5 iterations.
- iteration 93: trace = 2.429820307031026 (0.000198263% change)
- linmin: converged after 3 iterations.
- iteration 94: trace = 2.429811489210155 (0.000362901% change)
- linmin: converged after 5 iterations.
- iteration 95: trace = 2.429799351019589 (0.000499554% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 2.429796384209345 (0.000122101% change)
- large trace change predicted (0.000517057%)
- linmin: converged after 4 iterations.
- iteration 97: trace = 2.429783822312285 (0.000516995% change)
- linmin: converged after 4 iterations.
- iteration 98: trace = 2.429779176188033 (0.000191216% change)
- large trace change predicted (0.000404307%)
- linmin: converged after 3 iterations.
- iteration 99: trace = 2.429769358407512 (0.000404061% change)
- linmin: converged after 3 iterations.
- iteration 100: trace = 2.429751334627436 (0.000741793% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 2.429742352605952 (0.000369669% change)
- large trace change predicted (0.00141944%)
- linmin: converged after 4 iterations.
- iteration 102: trace = 2.429707992174702 (0.00141417% change)
- linmin: converged after 4 iterations.
- iteration 103: trace = 2.429664632613277 (0.00178457% change)
- linmin: converged after 4 iterations.
- iteration 104: trace = 2.429647045585335 (0.000723849% change)
- large trace change predicted (0.00236014%)
- linmin: converged after 4 iterations.
- iteration 105: trace = 2.429590050260671 (0.00234585% change)
- linmin: converged after 3 iterations.
- iteration 106: trace = 2.429561724742144 (0.00116586% change)
- linmin: converged after 4 iterations.
- iteration 107: trace = 2.42953515505053 (0.00109361% change)
- linmin: converged after 5 iterations.
- iteration 108: trace = 2.429519665032375 (0.000637573% change)
- linmin: converged after 5 iterations.
- iteration 109: trace = 2.429512022126598 (0.000314586% change)
- linmin: converged after 3 iterations.
- iteration 110: trace = 2.429498087555357 (0.000573556% change)
- linmin: converged after 3 iterations.
- iteration 111: trace = 2.429487519945834 (0.000434972% change)
- linmin: converged after 3 iterations.
- iteration 112: trace = 2.42948324395007 (0.000176004% change)
- large trace change predicted (0.000474577%)
- linmin: converged after 3 iterations.
- iteration 113: trace = 2.42947170709866 (0.00047487% change)
- linmin: converged after 3 iterations.
- iteration 114: trace = 2.429465139327126 (0.000270338% change)
- linmin: converged after 5 iterations.
- iteration 115: trace = 2.429459385570046 (0.000236833% change)
- large trace change predicted (0.000650862%)
- linmin: converged after 3 iterations.
- iteration 116: trace = 2.429443546676336 (0.000651953% change)
- linmin: converged after 13 iterations.
- iteration 117: trace = 2.429438048868982 (0.000226299% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 2.429427443295201 (0.000436545% change)
- linmin: converged after 3 iterations.
- iteration 119: trace = 2.429413271509384 (0.00058334% change)
- linmin: converged after 3 iterations.
- iteration 120: trace = 2.429408316184948 (0.000203972% change)
- large trace change predicted (0.000900917%)
- linmin: converged after 6 iterations.
- iteration 121: trace = 2.429386326019267 (0.00090517% change)
- linmin: converged after 4 iterations.
- iteration 122: trace = 2.429375631412208 (0.000440219% change)
- linmin: converged after 4 iterations.
- iteration 123: trace = 2.429364836826458 (0.000444337% change)
- large trace change predicted (0.00110621%)
- linmin: converged after 6 iterations.
- iteration 124: trace = 2.429337834084296 (0.00111152% change)
- linmin: converged after 3 iterations.
- iteration 125: trace = 2.429334077310085 (0.000154642% change)
- large trace change predicted (0.000524101%)
- linmin: converged after 4 iterations.
- iteration 126: trace = 2.429321327974368 (0.000524809% change)
- linmin: converged after 4 iterations.
- iteration 127: trace = 2.429312247681153 (0.00037378% change)
- linmin: converged after 4 iterations.
- iteration 128: trace = 2.429307013266377 (0.000215469% change)
- linmin: converged after 3 iterations.
- iteration 129: trace = 2.429299574266179 (0.000306219% change)
- linmin: converged after 4 iterations.
- iteration 130: trace = 2.429296422141316 (0.000129755% change)
- linmin: converged after 4 iterations.
- iteration 131: trace = 2.42929430636169 (8.70944e-05% change)
- linmin: converged after 4 iterations.
- iteration 132: trace = 2.429292120608778 (8.99748e-05% change)
- linmin: converged after 3 iterations.
- iteration 133: trace = 2.429291259743365 (3.54369e-05% change)
- large trace change predicted (0.000155579%)
- linmin: converged after 3 iterations.
- iteration 134: trace = 2.42928747856844 (0.000155649% change)
- linmin: converged after 4 iterations.
- iteration 135: trace = 2.42928566079622 (7.48274e-05% change)
- linmin: converged after 3 iterations.
- iteration 136: trace = 2.429283972697248 (6.94895e-05% change)
- linmin: converged after 9 iterations.
- iteration 137: trace = 2.429281362924337 (0.00010743% change)
- linmin: converged after 3 iterations.
- iteration 138: trace = 2.429278118852213 (0.00013354% change)
- linmin: converged after 3 iterations.
- iteration 139: trace = 2.429275614525207 (0.000103089% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 140: trace = 2.42927409598177 (6.25102e-05% change)
- linmin: converged after 5 iterations.
- iteration 141: trace = 2.42927289908012 (4.92699e-05% change)
- linmin: converged after 4 iterations.
- iteration 142: trace = 2.429271258249443 (6.75441e-05% change)
- linmin: converged after 3 iterations.
- iteration 143: trace = 2.429270235886694 (4.20852e-05% change)
- linmin: converged after 3 iterations.
- iteration 144: trace = 2.429268647958751 (6.53665e-05% change)
- linmin: converged after 7 iterations.
- iteration 145: trace = 2.42926704584085 (6.59506e-05% change)
- linmin: converged after 3 iterations.
- iteration 146: trace = 2.429266479973327 (2.32938e-05% change)
- large trace change predicted (8.08986e-05%)
- linmin: converged after 3 iterations.
- iteration 147: trace = 2.429264515434403 (8.08697e-05% change)
- linmin: converged after 4 iterations.
- iteration 148: trace = 2.42926334816456 (4.80504e-05% change)
- linmin: converged after 4 iterations.
- iteration 149: trace = 2.429261899908278 (5.96171e-05% change)
- linmin: converged after 3 iterations.
- iteration 150: trace = 2.429259840646419 (8.47691e-05% change)
- linmin: converged after 4 iterations.
- iteration 151: trace = 2.429256957670471 (0.000118677% change)
- linmin: converged after 3 iterations.
- iteration 152: trace = 2.429255776060519 (4.86408e-05% change)
- large trace change predicted (0.000132907%)
- linmin: converged after 3 iterations.
- iteration 153: trace = 2.429252548958497 (0.000132843% change)
- linmin: converged after 4 iterations.
- iteration 154: trace = 2.429251754706228 (3.26953e-05% change)
- large trace change predicted (0.000118786%)
- linmin: converged after 17 iterations.
- iteration 155: trace = 2.429248871948371 (0.000118669% change)
- linmin: converged after 3 iterations.
- iteration 156: trace = 2.429246735918261 (8.79297e-05% change)
- linmin: converged after 3 iterations.
- iteration 157: trace = 2.429245833309891 (3.71559e-05% change)
- large trace change predicted (0.000116423%)
- linmin: converged after 8 iterations.
- iteration 158: trace = 2.429243005345469 (0.000116413% change)
- linmin: converged after 3 iterations.
- iteration 159: trace = 2.429241101779866 (7.83605e-05% change)
- linmin: converged after 4 iterations.
- iteration 160: trace = 2.429240335506347 (3.15437e-05% change)
- large trace change predicted (9.3507e-05%)
- linmin: converged after 3 iterations.
- iteration 161: trace = 2.429238064622663 (9.34813e-05% change)
- linmin: converged after 4 iterations.
- iteration 162: trace = 2.429235882997586 (8.9807e-05% change)
- linmin: converged after 4 iterations.
- iteration 163: trace = 2.429234980401422 (3.71556e-05% change)
- linmin: converged after 4 iterations.
- iteration 164: trace = 2.42923423123724 (3.08395e-05% change)
- linmin: converged after 4 iterations.
- iteration 165: trace = 2.429233750911721 (1.97727e-05% change)
- linmin: converged after 4 iterations.
- iteration 166: trace = 2.429233088670296 (2.72613e-05% change)
- linmin: converged after 4 iterations.
- iteration 167: trace = 2.429232294868338 (3.26771e-05% change)
- linmin: converged after 3 iterations.
- iteration 168: trace = 2.429232092479231 (8.3314e-06% change)
- large trace change predicted (2.08687e-05%)
- linmin: converged after 3 iterations.
- iteration 169: trace = 2.429231585521984 (2.0869e-05% change)
- large trace change predicted (4.65916e-05%)
- linmin: converged after 5 iterations.
- iteration 170: trace = 2.429230452851343 (4.66267e-05% change)
- linmin: converged after 3 iterations.
- iteration 171: trace = 2.42923003641728 (1.71426e-05% change)
- large trace change predicted (4.9594e-05%)
- linmin: converged after 3 iterations.
- iteration 172: trace = 2.429228831028408 (4.96202e-05% change)
- large trace change predicted (0.000101481%)
- linmin: converged after 3 iterations.
- iteration 173: trace = 2.429226362009262 (0.000101638% change)
- linmin: converged after 8 iterations.
- iteration 174: trace = 2.429225417340648 (3.88876e-05% change)
- large trace change predicted (0.00015174%)
- linmin: converged after 5 iterations.
- iteration 175: trace = 2.429221720389118 (0.000152187% change)
- linmin: converged after 8 iterations.
- iteration 176: trace = 2.42922057521934 (4.71414e-05% change)
- large trace change predicted (0.000101914%)
- linmin: converged after 3 iterations.
- iteration 177: trace = 2.429218093805543 (0.000102149% change)
- linmin: converged after 3 iterations.
- iteration 178: trace = 2.429216776163412 (5.42414e-05% change)
- linmin: converged after 3 iterations.
- iteration 179: trace = 2.429216260438805 (2.12301e-05% change)
- linmin: converged after 3 iterations.
- iteration 180: trace = 2.429215479645262 (3.21418e-05% change)
- linmin: converged after 3 iterations.
- iteration 181: trace = 2.429214791117453 (2.83436e-05% change)
- linmin: converged after 3 iterations.
- iteration 182: trace = 2.42921465892592 (5.44174e-06% change)
- large trace change predicted (1.81693e-05%)
- linmin: converged after 3 iterations.
- iteration 183: trace = 2.429214217504786 (1.81714e-05% change)
- linmin: converged after 3 iterations.
- iteration 184: trace = 2.429213878554908 (1.39531e-05% change)
- linmin: converged after 4 iterations.
- iteration 185: trace = 2.429213475528831 (1.65908e-05% change)
- large trace change predicted (4.60529e-05%)
- linmin: converged after 3 iterations.
- iteration 186: trace = 2.429212356766668 (4.60545e-05% change)
- linmin: converged after 3 iterations.
- iteration 187: trace = 2.42921172171569 (2.61423e-05% change)
- linmin: converged after 3 iterations.
- iteration 188: trace = 2.429211037753644 (2.81557e-05% change)
- large trace change predicted (6.15626e-05%)
- linmin: converged after 3 iterations.
- iteration 189: trace = 2.429209541977092 (6.15746e-05% change)
- linmin: converged after 4 iterations.
- iteration 190: trace = 2.429207963346268 (6.49854e-05% change)
- linmin: converged after 5 iterations.
- iteration 191: trace = 2.4292070388716 (3.80566e-05% change)
- linmin: converged after 3 iterations.
- iteration 192: trace = 2.429205426903361 (6.63578e-05% change)
- linmin: converged after 7 iterations.
- iteration 193: trace = 2.429204296054082 (4.65522e-05% change)
- linmin: converged after 3 iterations.
- iteration 194: trace = 2.429202808309655 (6.12441e-05% change)
- linmin: converged after 3 iterations.
- iteration 195: trace = 2.429201125104358 (6.92905e-05% change)
- linmin: converged after 3 iterations.
- iteration 196: trace = 2.429200275662924 (3.49679e-05% change)
- large trace change predicted (8.11891e-05%)
- linmin: converged after 3 iterations.
- iteration 197: trace = 2.42919830378711 (8.11739e-05% change)
- linmin: converged after 4 iterations.
- iteration 198: trace = 2.429196398587989 (7.84292e-05% change)
- linmin: converged after 3 iterations.
- iteration 199: trace = 2.429196159061805 (9.86031e-06% change)
- large trace change predicted (4.10336e-05%)
- linmin: converged after 4 iterations.
- iteration 200: trace = 2.429195162416827 (4.10278e-05% change)
- linmin: converged after 5 iterations.
- iteration 201: trace = 2.429194809229874 (1.45393e-05% change)
- linmin: converged after 4 iterations.
- iteration 202: trace = 2.429194551279223 (1.06188e-05% change)
- large trace change predicted (2.65693e-05%)
- linmin: converged after 3 iterations.
- iteration 203: trace = 2.429193905991623 (2.65639e-05% change)
- linmin: converged after 4 iterations.
- iteration 204: trace = 2.429193570087664 (1.38278e-05% change)
- linmin: converged after 4 iterations.
- iteration 205: trace = 2.429193222930634 (1.4291e-05% change)
- large trace change predicted (3.24251e-05%)
- linmin: converged after 3 iterations.
- iteration 206: trace = 2.429192435152539 (3.24296e-05% change)
- linmin: converged after 3 iterations.
- iteration 207: trace = 2.4291921630543 (1.12012e-05% change)
- large trace change predicted (2.38952e-05%)
- linmin: converged after 3 iterations.
- iteration 208: trace = 2.42919158249233 (2.38994e-05% change)
- large trace change predicted (0.000111098%)
- linmin: converged after 5 iterations.
- iteration 209: trace = 2.429188884189141 (0.000111078% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 210: trace = 2.429188417663049 (1.9205e-05% change)
- large trace change predicted (3.87924e-05%)
- linmin: converged after 3 iterations.
- iteration 211: trace = 2.429187475341786 (3.87916e-05% change)
- linmin: converged after 2 iterations.
- iteration 212: trace = 2.429186915967879 (2.30272e-05% change)
- linmin: converged after 3 iterations.
- iteration 213: trace = 2.429186735590805 (7.42541e-06% change)
- large trace change predicted (2.20942e-05%)
- linmin: converged after 3 iterations.
- iteration 214: trace = 2.429186198860606 (2.20951e-05% change)
- linmin: converged after 17 iterations.
- iteration 215: trace = 2.429185878642841 (1.31821e-05% change)
- linmin: converged after 5 iterations.
- iteration 216: trace = 2.429185770261154 (4.46165e-06% change)
- large trace change predicted (2.78323e-05%)
- linmin: converged after 4 iterations.
- iteration 217: trace = 2.429185094171956 (2.78319e-05% change)
- linmin: converged after 3 iterations.
- iteration 218: trace = 2.429184909013692 (7.62224e-06% change)
- large trace change predicted (1.53145e-05%)
- linmin: converged after 3 iterations.
- iteration 219: trace = 2.429184537014271 (1.53138e-05% change)
- linmin: converged after 3 iterations.
- iteration 220: trace = 2.42918417152118 (1.50459e-05% change)
- linmin: converged after 4 iterations.
- iteration 221: trace = 2.42918393213037 (9.85478e-06% change)
- linmin: converged after 4 iterations.
- iteration 222: trace = 2.429183590611124 (1.4059e-05% change)
- linmin: converged after 3 iterations.
- iteration 223: trace = 2.429183130075418 (1.89585e-05% change)
- linmin: converged after 4 iterations.
- iteration 224: trace = 2.429182974161737 (6.41836e-06% change)
- large trace change predicted (2.32489e-05%)
- linmin: converged after 4 iterations.
- iteration 225: trace = 2.42918240945807 (2.32467e-05% change)
- linmin: converged after 3 iterations.
- iteration 226: trace = 2.429181944168396 (1.91542e-05% change)
- linmin: converged after 7 iterations.
- iteration 227: trace = 2.429181768390337 (7.2361e-06% change)
- large trace change predicted (3.06009e-05%)
- linmin: converged after 3 iterations.
- iteration 228: trace = 2.429181025453373 (3.05838e-05% change)
- linmin: converged after 5 iterations.
- iteration 229: trace = 2.429180461966678 (2.31966e-05% change)
- linmin: converged after 3 iterations.
- iteration 230: trace = 2.429180207737434 (1.04656e-05% change)
- large trace change predicted (4.05241e-05%)
- linmin: converged after 9 iterations.
- iteration 231: trace = 2.429179223611912 (4.05127e-05% change)
- linmin: converged after 5 iterations.
- iteration 232: trace = 2.429179025585875 (8.15197e-06% change)
- large trace change predicted (2.09963e-05%)
- linmin: converged after 5 iterations.
- iteration 233: trace = 2.429178515612528 (2.09937e-05% change)
- linmin: converged after 10 iterations.
- iteration 234: trace = 2.429178320911897 (8.01508e-06% change)
- linmin: converged after 5 iterations.
- iteration 235: trace = 2.429178248027359 (3.00038e-06% change)
- large trace change predicted (9.55952e-06%)
- linmin: converged after 4 iterations.
- iteration 236: trace = 2.42917801581976 (9.5591e-06% change)
- linmin: converged after 3 iterations.
- iteration 237: trace = 2.429177861901049 (6.33625e-06% change)
- linmin: converged after 18 iterations.
- iteration 238: trace = 2.429177747213046 (4.72127e-06% change)
- linmin: converged after 5 iterations.
- iteration 239: trace = 2.429177698299305 (2.01359e-06% change)
- large trace change predicted (1.11405e-05%)
- linmin: converged after 8 iterations.
- iteration 240: trace = 2.429177427738141 (1.1138e-05% change)
- linmin: converged after 3 iterations.
- iteration 241: trace = 2.429177305472837 (5.0332e-06% change)
- linmin: converged after 6 iterations.
- iteration 242: trace = 2.429177204659053 (4.15012e-06% change)
- large trace change predicted (1.7675e-05%)
- linmin: converged after 15 iterations.
- iteration 243: trace = 2.429176775531757 (1.76655e-05% change)
- linmin: converged after 2 iterations.
- iteration 244: trace = 2.429176676169531 (4.09037e-06% change)
- large trace change predicted (1.92215e-05%)
- linmin: converged after 8 iterations.
- iteration 245: trace = 2.429176209583188 (1.92076e-05% change)
- linmin: converged after 5 iterations.
- iteration 246: trace = 2.429175810985335 (1.64088e-05% change)
- linmin: converged after 4 iterations.
- iteration 247: trace = 2.429175606454512 (8.41976e-06% change)
- linmin: converged after 3 iterations.
- iteration 248: trace = 2.429175235324235 (1.5278e-05% change)
- linmin: converged after 3 iterations.
- iteration 249: trace = 2.429174806497148 (1.76532e-05% change)
- linmin: converged after 3 iterations.
- iteration 250: trace = 2.429174680882425 (5.17109e-06% change)
- large trace change predicted (1.79797e-05%)
- linmin: converged after 5 iterations.
- iteration 251: trace = 2.429174244340877 (1.79708e-05% change)
- linmin: converged after 3 iterations.
- iteration 252: trace = 2.429174062259734 (7.4956e-06% change)
- linmin: converged after 3 iterations.
- iteration 253: trace = 2.429173793528956 (1.10626e-05% change)
- linmin: converged after 4 iterations.
- iteration 254: trace = 2.42917345168899 (1.40723e-05% change)
- linmin: converged after 5 iterations.
- iteration 255: trace = 2.429173367085217 (3.48282e-06% change)
- linmin: converged after 3 iterations.
- iteration 256: trace = 2.429173285275176 (3.36781e-06% change)
- linmin: converged after 16 iterations.
- iteration 257: trace = 2.429173157686595 (5.25235e-06% change)
- linmin: converged after 19 iterations.
- iteration 258: trace = 2.429173124665559 (1.35935e-06% change)
- large trace change predicted (5.8885e-06%)
- linmin: converged after 3 iterations.
- iteration 259: trace = 2.429172981626833 (5.88837e-06% change)
- linmin: converged after 3 iterations.
- iteration 260: trace = 2.429172805000309 (7.27106e-06% change)
- linmin: converged after 3 iterations.
- iteration 261: trace = 2.429172679875048 (5.15094e-06% change)
- large trace change predicted (1.04768e-05%)
- linmin: converged after 5 iterations.
- iteration 262: trace = 2.429172425283692 (1.04806e-05% change)
- linmin: converged after 3 iterations.
- iteration 263: trace = 2.429172162836944 (1.0804e-05% change)
- linmin: converged after 4 iterations.
- iteration 264: trace = 2.429171853052371 (1.27527e-05% change)
- linmin: converged after 5 iterations.
- iteration 265: trace = 2.429171375270278 (1.96685e-05% change)
- linmin: converged after 3 iterations.
- iteration 266: trace = 2.429170756902879 (2.54559e-05% change)
- linmin: converged after 3 iterations.
- iteration 267: trace = 2.429170563713625 (7.95289e-06% change)
- large trace change predicted (1.94942e-05%)
- linmin: converged after 3 iterations.
- iteration 268: trace = 2.429170089903602 (1.9505e-05% change)
- linmin: converged after 7 iterations.
- iteration 269: trace = 2.429169997198031 (3.81635e-06% change)
- large trace change predicted (1.09782e-05%)
- linmin: converged after 3 iterations.
- iteration 270: trace = 2.429169730438092 (1.09815e-05% change)
- linmin: converged after 5 iterations.
- iteration 271: trace = 2.429169585969877 (5.94723e-06% change)
- linmin: converged after 4 iterations.
- iteration 272: trace = 2.429169513444048 (2.98562e-06% change)
- large trace change predicted (9.14273e-06%)
- linmin: converged after 3 iterations.
- iteration 273: trace = 2.429169291329733 (9.14363e-06% change)
- linmin: converged after 3 iterations.
- iteration 274: trace = 2.429169104533092 (7.68973e-06% change)
- linmin: converged after 9 iterations.
- iteration 275: trace = 2.429169019206554 (3.51258e-06% change)
- large trace change predicted (7.07632e-06%)
- linmin: converged after 3 iterations.
- iteration 276: trace = 2.429168847307157 (7.07647e-06% change)
- linmin: converged after 4 iterations.
- iteration 277: trace = 2.429168747622026 (4.10367e-06% change)
- linmin: converged after 3 iterations.
- iteration 278: trace = 2.429168631884506 (4.76449e-06% change)
- linmin: converged after 9 iterations.
- iteration 279: trace = 2.429168532093602 (4.10803e-06% change)
- resetting CG direction...
- linmin: converged after 12 iterations.
- iteration 280: trace = 2.4291684964183 (1.46862e-06% change)
- linmin: converged after 3 iterations.
- iteration 281: trace = 2.429168440493254 (2.30223e-06% change)
- large trace change predicted (4.78184e-06%)
- linmin: converged after 12 iterations.
- iteration 282: trace = 2.429168324337096 (4.78173e-06% change)
- linmin: converged after 3 iterations.
- iteration 283: trace = 2.429168281452561 (1.7654e-06% change)
- large trace change predicted (4.77569e-06%)
- linmin: converged after 3 iterations.
- iteration 284: trace = 2.429168165440978 (4.77577e-06% change)
- linmin: converged after 4 iterations.
- iteration 285: trace = 2.429168012705448 (6.28757e-06% change)
- linmin: converged after 3 iterations.
- iteration 286: trace = 2.42916796048866 (2.14958e-06% change)
- large trace change predicted (8.34541e-06%)
- linmin: converged after 8 iterations.
- iteration 287: trace = 2.429167757816693 (8.34327e-06% change)
- linmin: converged after 3 iterations.
- iteration 288: trace = 2.429167658486002 (4.08908e-06% change)
- linmin: converged after 3 iterations.
- iteration 289: trace = 2.429167571186357 (3.59381e-06% change)
- large trace change predicted (7.19173e-06%)
- linmin: converged after 3 iterations.
- iteration 290: trace = 2.429167396516001 (7.19054e-06% change)
- linmin: converged after 21 iterations.
- iteration 291: trace = 2.429167288799497 (4.4343e-06% change)
- large trace change predicted (9.41372e-06%)
- linmin: converged after 3 iterations.
- iteration 292: trace = 2.42916706019453 (9.41084e-06% change)
- linmin: converged after 5 iterations.
- iteration 293: trace = 2.429166790637383 (1.10967e-05% change)
- linmin: converged after 2 iterations.
- iteration 294: trace = 2.429166700646225 (3.70461e-06% change)
- large trace change predicted (9.97237e-06%)
- linmin: converged after 5 iterations.
- iteration 295: trace = 2.429166458463594 (9.96978e-06% change)
- linmin: converged after 5 iterations.
- iteration 296: trace = 2.429166273287356 (7.62304e-06% change)
- linmin: converged after 3 iterations.
- iteration 297: trace = 2.429166214243364 (2.43063e-06% change)
- large trace change predicted (5.55686e-06%)
- linmin: converged after 3 iterations.
- iteration 298: trace = 2.429166079247588 (5.55729e-06% change)
- linmin: converged after 5 iterations.
- iteration 299: trace = 2.42916595125798 (5.26887e-06% change)
- linmin: converged after 5 iterations.
- iteration 300: trace = 2.42916592282076 (1.17066e-06% change)
- large trace change predicted (4.49744e-06%)
- linmin: converged after 3 iterations.
- iteration 301: trace = 2.429165813577227 (4.49716e-06% change)
- linmin: converged after 3 iterations.
- iteration 302: trace = 2.429165796577458 (6.99819e-07% change)
- large trace change predicted (2.49075e-06%)
- linmin: converged after 28 iterations.
- iteration 303: trace = 2.429165736079905 (2.49047e-06% change)
- linmin: converged after 10 iterations.
- iteration 304: trace = 2.429165697146961 (1.60273e-06% change)
- linmin: converged after 6 iterations.
- iteration 305: trace = 2.429165679806006 (7.13865e-07% change)
- large trace change predicted (3.42752e-06%)
- linmin: converged after 4 iterations.
- iteration 306: trace = 2.429165596541317 (3.42771e-06% change)
- linmin: converged after 3 iterations.
- iteration 307: trace = 2.42916551057928 (3.53875e-06% change)
- linmin: converged after 13 iterations.
- iteration 308: trace = 2.429165452112139 (2.40688e-06% change)
- linmin: converged after 5 iterations.
- iteration 309: trace = 2.429165391596641 (2.49121e-06% change)
- large trace change predicted (5.07692e-06%)
- linmin: converged after 6 iterations.
- iteration 310: trace = 2.429165268222554 (5.07887e-06% change)
- linmin: converged after 3 iterations.
- iteration 311: trace = 2.429165206363174 (2.54653e-06% change)
- large trace change predicted (5.43046e-06%)
- linmin: converged after 3 iterations.
- iteration 312: trace = 2.429165074413008 (5.43191e-06% change)
- linmin: converged after 4 iterations.
- iteration 313: trace = 2.429164892245254 (7.49919e-06% change)
- linmin: converged after 5 iterations.
- iteration 314: trace = 2.429164849258548 (1.76961e-06% change)
- large trace change predicted (6.15247e-06%)
- linmin: converged after 5 iterations.
- iteration 315: trace = 2.429164699752117 (6.15464e-06% change)
- linmin: converged after 7 iterations.
- iteration 316: trace = 2.429164638771448 (2.51036e-06% change)
- linmin: converged after 4 iterations.
- iteration 317: trace = 2.429164550226917 (3.64506e-06% change)
- linmin: converged after 6 iterations.
- iteration 318: trace = 2.429164479965706 (2.8924e-06% change)
- linmin: converged after 7 iterations.
- iteration 319: trace = 2.429164428042301 (2.1375e-06% change)
- linmin: converged after 6 iterations.
- iteration 320: trace = 2.42916433563347 (3.80414e-06% change)
- linmin: converged after 6 iterations.
- iteration 321: trace = 2.429164273072414 (2.57541e-06% change)
- linmin: converged after 5 iterations.
- iteration 322: trace = 2.429164251889688 (8.72017e-07% change)
- large trace change predicted (2.15234e-06%)
- linmin: converged after 31 iterations.
- iteration 323: trace = 2.429164199604794 (2.15238e-06% change)
- linmin: converged after 4 iterations.
- iteration 324: trace = 2.429164141863048 (2.37702e-06% change)
- linmin: converged after 3 iterations.
- iteration 325: trace = 2.429164127630346 (5.85909e-07% change)
- linmin: converged after 3 iterations.
- iteration 326: trace = 2.429164104061229 (9.70256e-07% change)
- large trace change predicted (2.21783e-06%)
- linmin: converged after 11 iterations.
- iteration 327: trace = 2.429164050187693 (2.21778e-06% change)
- linmin: converged after 5 iterations.
- iteration 328: trace = 2.429164034353503 (6.51837e-07% change)
- large trace change predicted (3.00202e-06%)
- linmin: converged after 15 iterations.
- iteration 329: trace = 2.429163961434901 (3.0018e-06% change)
- linmin: converged after 3 iterations.
- iteration 330: trace = 2.429163889770653 (2.95016e-06% change)
- linmin: converged after 12 iterations.
- iteration 331: trace = 2.42916383487541 (2.25984e-06% change)
- large trace change predicted (5.68134e-06%)
- linmin: converged after 3 iterations.
- iteration 332: trace = 2.429163696882009 (5.6807e-06% change)
- linmin: converged after 4 iterations.
- iteration 333: trace = 2.429163570432511 (5.20547e-06% change)
- linmin: converged after 3 iterations.
- iteration 334: trace = 2.429163481349127 (3.66725e-06% change)
- linmin: converged after 3 iterations.
- iteration 335: trace = 2.429163344316766 (5.64113e-06% change)
- linmin: converged after 4 iterations.
- iteration 336: trace = 2.429163265834819 (3.23082e-06% change)
- linmin: converged after 3 iterations.
- iteration 337: trace = 2.42916317946051 (3.55572e-06% change)
- linmin: converged after 3 iterations.
- iteration 338: trace = 2.429163085013065 (3.88807e-06% change)
- linmin: converged after 39 iterations.
- iteration 339: trace = 2.429163066798336 (7.49836e-07% change)
- large trace change predicted (2.4415e-06%)
- linmin: converged after 15 iterations.
- iteration 340: trace = 2.429163007491066 (2.44147e-06% change)
- linmin: converged after 12 iterations.
- iteration 341: trace = 2.429162963036354 (1.83004e-06% change)
- linmin: converged after 18 iterations.
- iteration 342: trace = 2.429162948635061 (5.9285e-07% change)
- large trace change predicted (3.10214e-06%)
- linmin: converged after 3 iterations.
- iteration 343: trace = 2.4291628732808 (3.10207e-06% change)
- linmin: converged after 3 iterations.
- iteration 344: trace = 2.429162825499415 (1.96699e-06% change)
- linmin: converged after 3 iterations.
- iteration 345: trace = 2.429162809116475 (6.74427e-07% change)
- large trace change predicted (2.00799e-06%)
- linmin: converged after 2 iterations.
- iteration 346: trace = 2.429162760339046 (2.00799e-06% change)
- linmin: converged after 4 iterations.
- iteration 347: trace = 2.429162724432277 (1.47815e-06% change)
- linmin: converged after 4 iterations.
- iteration 348: trace = 2.429162698551296 (1.06543e-06% change)
- large trace change predicted (2.23223e-06%)
- linmin: converged after 5 iterations.
- iteration 349: trace = 2.4291626443277 (2.23219e-06% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 350: trace = 2.429162606880206 (1.54158e-06% change)
- linmin: converged after 3 iterations.
- iteration 351: trace = 2.429162592627571 (5.8673e-07% change)
- large trace change predicted (1.69493e-06%)
- linmin: converged after 2 iterations.
- iteration 352: trace = 2.429162551455 (1.69493e-06% change)
- linmin: converged after 12 iterations.
- iteration 353: trace = 2.42916252138295 (1.23796e-06% change)
- linmin: converged after 3 iterations.
- iteration 354: trace = 2.429162501479733 (8.19345e-07% change)
- large trace change predicted (1.82735e-06%)
- linmin: converged after 6 iterations.
- iteration 355: trace = 2.429162457090289 (1.82736e-06% change)
- linmin: converged after 6 iterations.
- iteration 356: trace = 2.429162440909697 (6.66098e-07% change)
- large trace change predicted (2.34219e-06%)
- linmin: converged after 2 iterations.
- iteration 357: trace = 2.429162384014163 (2.34219e-06% change)
- linmin: converged after 5 iterations.
- iteration 358: trace = 2.429162349681781 (1.41334e-06% change)
- linmin: converged after 4 iterations.
- iteration 359: trace = 2.429162330473176 (7.9075e-07% change)
- linmin: converged after 8 iterations.
- iteration 360: trace = 2.429162296920965 (1.38123e-06% change)
- linmin: converged after 2 iterations.
- iteration 361: trace = 2.429162235219772 (2.54002e-06% change)
- linmin: converged after 3 iterations.
- iteration 362: trace = 2.429162220071998 (6.2358e-07% change)
- large trace change predicted (2.67787e-06%)
- linmin: converged after 5 iterations.
- iteration 363: trace = 2.429162155020347 (2.67795e-06% change)
- linmin: converged after 2 iterations.
- iteration 364: trace = 2.429162083523964 (2.94325e-06% change)
- linmin: converged after 7 iterations.
- iteration 365: trace = 2.429162046332947 (1.53102e-06% change)
- large trace change predicted (3.42156e-06%)
- linmin: converged after 2 iterations.
- iteration 366: trace = 2.429161963216603 (3.42161e-06% change)
- linmin: converged after 3 iterations.
- iteration 367: trace = 2.429161898126555 (2.67953e-06% change)
- linmin: converged after 7 iterations.
- iteration 368: trace = 2.429161872295726 (1.06336e-06% change)
- large trace change predicted (2.28311e-06%)
- linmin: converged after 4 iterations.
- iteration 369: trace = 2.429161816835373 (2.28311e-06% change)
- linmin: converged after 17 iterations.
- iteration 370: trace = 2.42916179829711 (7.63155e-07% change)
- linmin: converged after 3 iterations.
- iteration 371: trace = 2.429161774001537 (1.00016e-06% change)
- linmin: converged after 4 iterations.
- iteration 372: trace = 2.429161756942047 (7.02279e-07% change)
- linmin: converged after 3 iterations.
- iteration 373: trace = 2.429161747951866 (3.70094e-07% change)
- linmin: converged after 3 iterations.
- iteration 374: trace = 2.429161736740186 (4.61545e-07% change)
- large trace change predicted (9.93069e-07%)
- linmin: converged after 4 iterations.
- iteration 375: trace = 2.429161712617764 (9.93035e-07% change)
- linmin: converged after 3 iterations.
- iteration 376: trace = 2.429161706277334 (2.61013e-07% change)
- large trace change predicted (9.6954e-07%)
- linmin: converged after 3 iterations.
- iteration 377: trace = 2.429161682726784 (9.69493e-07% change)
- linmin: converged after 15 iterations.
- iteration 378: trace = 2.42916165696918 (1.06035e-06% change)
- linmin: converged after 4 iterations.
- iteration 379: trace = 2.429161631436572 (1.05109e-06% change)
- linmin: converged after 5 iterations.
- iteration 380: trace = 2.429161615532259 (6.54724e-07% change)
- large trace change predicted (1.42807e-06%)
- linmin: converged after 6 iterations.
- iteration 381: trace = 2.429161580845463 (1.42793e-06% change)
- linmin: converged after 25 iterations.
- iteration 382: trace = 2.429161547566768 (1.36997e-06% change)
- linmin: converged after 3 iterations.
- iteration 383: trace = 2.429161526503495 (8.67101e-07% change)
- large trace change predicted (1.92608e-06%)
- linmin: converged after 9 iterations.
- iteration 384: trace = 2.429161479721524 (1.92585e-06% change)
- linmin: converged after 6 iterations.
- iteration 385: trace = 2.429161467676568 (4.95848e-07% change)
- large trace change predicted (2.38017e-06%)
- linmin: converged after 9 iterations.
- iteration 386: trace = 2.429161409865471 (2.37988e-06% change)
- linmin: converged after 5 iterations.
- iteration 387: trace = 2.429161370736981 (1.61078e-06% change)
- linmin: converged after 4 iterations.
- iteration 388: trace = 2.429161353649504 (7.03431e-07% change)
- large trace change predicted (1.69145e-06%)
- linmin: converged after 5 iterations.
- iteration 389: trace = 2.429161312564659 (1.69132e-06% change)
- linmin: converged after 5 iterations.
- iteration 390: trace = 2.429161289374483 (9.54658e-07% change)
- linmin: converged after 10 iterations.
- iteration 391: trace = 2.429161275905912 (5.54454e-07% change)
- linmin: converged after 2 iterations.
- iteration 392: trace = 2.429161254799956 (8.68858e-07% change)
- linmin: converged after 4 iterations.
- iteration 393: trace = 2.429161245438828 (3.85365e-07% change)
- linmin: converged after 3 iterations.
- iteration 394: trace = 2.429161229402593 (6.60155e-07% change)
- linmin: converged after 23 iterations.
- iteration 395: trace = 2.429161219232758 (4.18656e-07% change)
- linmin: converged after 3 iterations.
- iteration 396: trace = 2.429161208096996 (4.5842e-07% change)
- linmin: converged after 21 iterations.
- iteration 397: trace = 2.429161201432734 (2.74344e-07% change)
- large trace change predicted (9.31855e-07%)
- linmin: converged after 4 iterations.
- iteration 398: trace = 2.429161178796045 (9.31873e-07% change)
- linmin: converged after 18 iterations.
- iteration 399: trace = 2.429161174266039 (1.86484e-07% change)
- large trace change predicted (1.12087e-06%)
- linmin: converged after 29 iterations.
- iteration 400: trace = 2.42916114703788 (1.12089e-06% change)
- linmin: converged after 7 iterations.
- iteration 401: trace = 2.429161116753245 (1.24671e-06% change)
- linmin: converged after 28 iterations.
- iteration 402: trace = 2.429161103903051 (5.28997e-07% change)
- large trace change predicted (1.36412e-06%)
- linmin: converged after 3 iterations.
- iteration 403: trace = 2.429161070766495 (1.36412e-06% change)
- linmin: converged after 6 iterations.
- iteration 404: trace = 2.429161031675101 (1.60925e-06% change)
- linmin: converged after 5 iterations.
- iteration 405: trace = 2.429161018395096 (5.46691e-07% change)
- large trace change predicted (2.19263e-06%)
- linmin: converged after 4 iterations.
- iteration 406: trace = 2.429160965117012 (2.19327e-06% change)
- linmin: converged after 10 iterations.
- iteration 407: trace = 2.42916094607832 (7.83756e-07% change)
- linmin: converged after 14 iterations.
- iteration 408: trace = 2.429160915406335 (1.26266e-06% change)
- linmin: converged after 6 iterations.
- iteration 409: trace = 2.429160890787283 (1.01348e-06% change)
- linmin: converged after 10 iterations.
- iteration 410: trace = 2.429160865912935 (1.02399e-06% change)
- linmin: converged after 4 iterations.
- iteration 411: trace = 2.429160859681612 (2.56522e-07% change)
- large trace change predicted (1.04374e-06%)
- linmin: converged after 3 iterations.
- iteration 412: trace = 2.429160834324978 (1.04384e-06% change)
- linmin: converged after 13 iterations.
- iteration 413: trace = 2.429160822552582 (4.84628e-07% change)
- linmin: converged after 3 iterations.
- iteration 414: trace = 2.429160810479629 (4.97001e-07% change)
- linmin: converged after 2 iterations.
- iteration 415: trace = 2.429160794270682 (6.67265e-07% change)
- linmin: converged after 3 iterations.
- iteration 416: trace = 2.429160786868144 (3.04736e-07% change)
- linmin: converged after 9 iterations.
- iteration 417: trace = 2.429160778191858 (3.57172e-07% change)
- linmin: converged after 3 iterations.
- iteration 418: trace = 2.429160770947577 (2.98222e-07% change)
- large trace change predicted (7.45595e-07%)
- linmin: converged after 4 iterations.
- iteration 419: trace = 2.429160752836823 (7.45556e-07% change)
- resetting CG direction...
- linmin: converged after 12 iterations.
- iteration 420: trace = 2.429160739586965 (5.4545e-07% change)
- linmin: converged after 6 iterations.
- iteration 421: trace = 2.429160730537375 (3.7254e-07% change)
- linmin: converged after 2 iterations.
- iteration 422: trace = 2.429160724763051 (2.37709e-07% change)
- linmin: converged after 7 iterations.
- iteration 423: trace = 2.429160719570453 (2.13761e-07% change)
- large trace change predicted (7.00133e-07%)
- linmin: converged after 21 iterations.
- iteration 424: trace = 2.429160702563295 (7.00125e-07% change)
- linmin: converged after 4 iterations.
- iteration 425: trace = 2.429160697115749 (2.24256e-07% change)
- large trace change predicted (5.1037e-07%)
- linmin: converged after 6 iterations.
- iteration 426: trace = 2.42916068471825 (5.10361e-07% change)
- linmin: converged after 6 iterations.
- iteration 427: trace = 2.429160666635492 (7.44404e-07% change)
- linmin: converged after 4 iterations.
- iteration 428: trace = 2.429160659172078 (3.07243e-07% change)
- linmin: converged after 7 iterations.
- iteration 429: trace = 2.429160644444301 (6.06291e-07% change)
- linmin: converged after 4 iterations.
- iteration 430: trace = 2.429160624952865 (8.02394e-07% change)
- linmin: converged after 9 iterations.
- iteration 431: trace = 2.429160619104701 (2.40748e-07% change)
- large trace change predicted (9.7676e-07%)
- linmin: converged after 11 iterations.
- iteration 432: trace = 2.429160595379874 (9.76668e-07% change)
- linmin: converged after 3 iterations.
- iteration 433: trace = 2.4291605797672 (6.42719e-07% change)
- linmin: converged after 6 iterations.
- iteration 434: trace = 2.429160557386624 (9.2133e-07% change)
- linmin: converged after 10 iterations.
- iteration 435: trace = 2.429160537761554 (8.07895e-07% change)
- linmin: converged after 10 iterations.
- iteration 436: trace = 2.429160526861633 (4.48711e-07% change)
- linmin: converged after 17 iterations.
- iteration 437: trace = 2.429160510496093 (6.73712e-07% change)
- linmin: converged after 3 iterations.
- iteration 438: trace = 2.429160494711398 (6.498e-07% change)
- linmin: converged after 5 iterations.
- iteration 439: trace = 2.429160486694368 (3.30033e-07% change)
- linmin: converged after 15 iterations.
- iteration 440: trace = 2.42916047882103 (3.24118e-07% change)
- linmin: converged after 13 iterations.
- iteration 441: trace = 2.429160470234992 (3.53457e-07% change)
- linmin: converged after 3 iterations.
- iteration 442: trace = 2.429160467856385 (9.79189e-08% change)
- linmin: converged after 19 iterations.
- iteration 443: trace = 2.429160463831151 (1.65705e-07% change)
- linmin: converged after 7 iterations.
- iteration 444: trace = 2.429160457686066 (2.52972e-07% change)
- linmin: converged after 4 iterations.
- iteration 445: trace = 2.429160455712316 (8.12523e-08% change)
- large trace change predicted (4.03865e-07%)
- linmin: converged after 6 iterations.
- iteration 446: trace = 2.429160445901539 (4.03875e-07% change)
- linmin: converged after 9 iterations.
- iteration 447: trace = 2.429160436720489 (3.77952e-07% change)
- linmin: converged after 2 iterations.
- iteration 448: trace = 2.429160433539449 (1.30952e-07% change)
- large trace change predicted (4.12445e-07%)
- linmin: converged after 11 iterations.
- iteration 449: trace = 2.429160423520147 (4.12459e-07% change)
- linmin: converged after 3 iterations.
- iteration 450: trace = 2.429160409222536 (5.88582e-07% change)
- linmin: converged after 4 iterations.
- iteration 451: trace = 2.429160403858268 (2.20828e-07% change)
- large trace change predicted (5.3769e-07%)
- linmin: converged after 5 iterations.
- iteration 452: trace = 2.429160390796208 (5.37719e-07% change)
- linmin: converged after 6 iterations.
- iteration 453: trace = 2.429160369243609 (8.87245e-07% change)
- linmin: converged after 5 iterations.
- iteration 454: trace = 2.429160365273726 (1.63426e-07% change)
- large trace change predicted (6.34754e-07%)
- linmin: converged after 9 iterations.
- iteration 455: trace = 2.429160349852637 (6.34832e-07% change)
- linmin: converged after 2 iterations.
- iteration 456: trace = 2.429160340465358 (3.86441e-07% change)
- linmin: converged after 17 iterations.
- iteration 457: trace = 2.429160335681417 (1.96938e-07% change)
- linmin: converged after 4 iterations.
- iteration 458: trace = 2.429160328469846 (2.96875e-07% change)
- linmin: converged after 8 iterations.
- iteration 459: trace = 2.42916032225174 (2.55978e-07% change)
- linmin: converged after 19 iterations.
- iteration 460: trace = 2.42916031538806 (2.82554e-07% change)
- linmin: converged after 5 iterations.
- iteration 461: trace = 2.429160307051307 (3.43195e-07% change)
- linmin: converged after 8 iterations.
- iteration 462: trace = 2.429160304951536 (8.64402e-08% change)
- large trace change predicted (2.06878e-07%)
- linmin: converged after 3 iterations.
- iteration 463: trace = 2.429160299926093 (2.0688e-07% change)
- linmin: converged after 6 iterations.
- iteration 464: trace = 2.429160295228535 (1.93382e-07% change)
- linmin: converged after 9 iterations.
- iteration 465: trace = 2.429160292940201 (9.42027e-08% change)
- linmin: converged after 4 iterations.
- iteration 466: trace = 2.429160289924876 (1.2413e-07% change)
- linmin: converged after 9 iterations.
- iteration 467: trace = 2.429160284427077 (2.26325e-07% change)
- linmin: converged after 2 iterations.
- iteration 468: trace = 2.429160283390882 (4.26565e-08% change)
- large trace change predicted (3.37778e-07%)
- linmin: converged after 10 iterations.
- iteration 469: trace = 2.429160275185771 (3.37776e-07% change)
- linmin: converged after 6 iterations.
- iteration 470: trace = 2.429160272626115 (1.05372e-07% change)
- large trace change predicted (4.14223e-07%)
- linmin: converged after 3 iterations.
- iteration 471: trace = 2.429160262564194 (4.14214e-07% change)
- linmin: converged after 3 iterations.
- iteration 472: trace = 2.429160251210739 (4.67382e-07% change)
- linmin: converged after 6 iterations.
- iteration 473: trace = 2.42916023576294 (6.35932e-07% change)
- linmin: converged after 3 iterations.
- iteration 474: trace = 2.429160231032962 (1.94717e-07% change)
- large trace change predicted (6.67413e-07%)
- linmin: converged after 20 iterations.
- iteration 475: trace = 2.429160214821227 (6.6738e-07% change)
- linmin: converged after 4 iterations.
- iteration 476: trace = 2.429160203867546 (4.50925e-07% change)
- linmin: converged after 4 iterations.
- iteration 477: trace = 2.429160199322132 (1.87119e-07% change)
- large trace change predicted (3.81325e-07%)
- linmin: converged after 27 iterations.
- iteration 478: trace = 2.429160190059395 (3.81314e-07% change)
- linmin: converged after 4 iterations.
- iteration 479: trace = 2.429160184963958 (2.09761e-07% change)
- linmin: converged after 4 iterations.
- iteration 480: trace = 2.429160182536235 (9.99409e-08% change)
- linmin: converged after 5 iterations.
- iteration 481: trace = 2.429160178153689 (1.80414e-07% change)
- linmin: converged after 3 iterations.
- iteration 482: trace = 2.429160173265569 (2.01227e-07% change)
- linmin: converged after 6 iterations.
- iteration 483: trace = 2.429160168444519 (1.98466e-07% change)
- linmin: converged after 31 iterations.
- iteration 484: trace = 2.429160162554148 (2.42486e-07% change)
- linmin: converged after 15 iterations.
- iteration 485: trace = 2.42916016098529 (6.45844e-08% change)
- large trace change predicted (1.51359e-07%)
- linmin: converged after 3 iterations.
- iteration 486: trace = 2.429160157308518 (1.5136e-07% change)
- linmin: converged after 21 iterations.
- iteration 487: trace = 2.429160152064144 (2.15892e-07% change)
- linmin: converged after 13 iterations.
- iteration 488: trace = 2.429160150600116 (6.02689e-08% change)
- large trace change predicted (1.65788e-07%)
- linmin: converged after 3 iterations.
- iteration 489: trace = 2.429160146572889 (1.65787e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 490: trace = 2.429160143109999 (1.42555e-07% change)
- linmin: converged after 13 iterations.
- iteration 491: trace = 2.429160141774804 (5.49653e-08% change)
- large trace change predicted (1.87946e-07%)
- linmin: converged after 16 iterations.
- iteration 492: trace = 2.429160137209224 (1.87949e-07% change)
- linmin: converged after 3 iterations.
- iteration 493: trace = 2.429160134545369 (1.09662e-07% change)
- linmin: converged after 5 iterations.
- iteration 494: trace = 2.429160132729607 (7.47485e-08% change)
- large trace change predicted (2.19501e-07%)
- linmin: converged after 8 iterations.
- iteration 495: trace = 2.429160127397544 (2.19502e-07% change)
- linmin: converged after 16 iterations.
- iteration 496: trace = 2.429160125965343 (5.89587e-08% change)
- large trace change predicted (2.6351e-07%)
- linmin: converged after 3 iterations.
- iteration 497: trace = 2.429160119564294 (2.63509e-07% change)
- linmin: converged after 8 iterations.
- iteration 498: trace = 2.429160116734033 (1.16512e-07% change)
- linmin: converged after 3 iterations.
- iteration 499: trace = 2.429160115191659 (6.34941e-08% change)
- large trace change predicted (1.9236e-07%)
- linmin: converged after 3 iterations.
- iteration 500: trace = 2.429160110518885 (1.92362e-07% change)
- linmin: converged after 12 iterations.
- iteration 501: trace = 2.429160105528207 (2.05449e-07% change)
- linmin: converged after 15 iterations.
- iteration 502: trace = 2.429160102894765 (1.0841e-07% change)
- large trace change predicted (3.11111e-07%)
- linmin: converged after 23 iterations.
- iteration 503: trace = 2.429160095337199 (3.11118e-07% change)
- linmin: converged after 6 iterations.
- iteration 504: trace = 2.429160092159261 (1.30825e-07% change)
- large trace change predicted (3.09998e-07%)
- linmin: converged after 5 iterations.
- iteration 505: trace = 2.42916008462877 (3.10004e-07% change)
- linmin: converged after 7 iterations.
- iteration 506: trace = 2.42916007621103 (3.46529e-07% change)
- linmin: converged after 3 iterations.
- iteration 507: trace = 2.429160071827713 (1.80446e-07% change)
- linmin: converged after 7 iterations.
- iteration 508: trace = 2.429160067386099 (1.82846e-07% change)
- linmin: converged after 4 iterations.
- iteration 509: trace = 2.42916006115866 (2.56362e-07% change)
- linmin: converged after 4 iterations.
- iteration 510: trace = 2.429160059047279 (8.69181e-08% change)
- linmin: converged after 4 iterations.
- iteration 511: trace = 2.429160056746093 (9.47318e-08% change)
- linmin: converged after 4 iterations.
- iteration 512: trace = 2.429160054673741 (8.53115e-08% change)
- linmin: converged after 4 iterations.
- iteration 513: trace = 2.429160053823607 (3.4997e-08% change)
- linmin: converged after 4 iterations.
- iteration 514: trace = 2.429160052906892 (3.77379e-08% change)
- large trace change predicted (1.10361e-07%)
- linmin: converged after 7 iterations.
- iteration 515: trace = 2.429160050226149 (1.10357e-07% change)
- linmin: converged after 8 iterations.
- iteration 516: trace = 2.429160049619317 (2.49812e-08% change)
- large trace change predicted (1.03891e-07%)
- linmin: converged after 4 iterations.
- iteration 517: trace = 2.429160047095664 (1.0389e-07% change)
- linmin: converged after 8 iterations.
- iteration 518: trace = 2.42916004369386 (1.4004e-07% change)
- linmin: converged after 6 iterations.
- iteration 519: trace = 2.429160042766972 (3.81567e-08% change)
- large trace change predicted (1.87188e-07%)
- linmin: converged after 4 iterations.
- iteration 520: trace = 2.429160038220054 (1.87181e-07% change)
- linmin: converged after 6 iterations.
- iteration 521: trace = 2.429160035383047 (1.1679e-07% change)
- linmin: converged after 7 iterations.
- iteration 522: trace = 2.429160031368913 (1.65248e-07% change)
- linmin: converged after 14 iterations.
- iteration 523: trace = 2.429160029550924 (7.48402e-08% change)
- large trace change predicted (1.99251e-07%)
- linmin: converged after 7 iterations.
- iteration 524: trace = 2.429160024711098 (1.99239e-07% change)
- linmin: converged after 9 iterations.
- iteration 525: trace = 2.429160023518538 (4.90935e-08% change)
- large trace change predicted (2.43829e-07%)
- linmin: converged after 4 iterations.
- iteration 526: trace = 2.429160017595835 (2.43817e-07% change)
- linmin: converged after 8 iterations.
- iteration 527: trace = 2.429160012997484 (1.89298e-07% change)
- linmin: converged after 4 iterations.
- iteration 528: trace = 2.429160010747484 (9.26246e-08% change)
- linmin: converged after 7 iterations.
- iteration 529: trace = 2.429160007290114 (1.42328e-07% change)
- linmin: converged after 6 iterations.
- iteration 530: trace = 2.429160004353959 (1.20871e-07% change)
- linmin: converged after 13 iterations.
- iteration 531: trace = 2.4291600034548 (3.70152e-08% change)
- large trace change predicted (9.26542e-08%)
- linmin: converged after 6 iterations.
- iteration 532: trace = 2.429160001204094 (9.26537e-08% change)
- linmin: converged after 4 iterations.
- iteration 533: trace = 2.429159999953416 (5.1486e-08% change)
- linmin: converged after 30 iterations.
- iteration 534: trace = 2.429159998640363 (5.40538e-08% change)
- linmin: converged after 2 iterations.
- iteration 535: trace = 2.429159997603382 (4.26888e-08% change)
- linmin: converged after 4 iterations.
- iteration 536: trace = 2.429159996198432 (5.78369e-08% change)
- linmin: converged after 3 iterations.
- iteration 537: trace = 2.429159995773238 (1.75037e-08% change)
- large trace change predicted (1.01276e-07%)
- linmin: converged after 12 iterations.
- iteration 538: trace = 2.429159993313064 (1.01277e-07% change)
- linmin: converged after 7 iterations.
- iteration 539: trace = 2.42915999214017 (4.82839e-08% change)
- large trace change predicted (9.70116e-08%)
- linmin: converged after 4 iterations.
- iteration 540: trace = 2.429159989783568 (9.7013e-08% change)
- linmin: converged after 4 iterations.
- iteration 541: trace = 2.429159986517198 (1.34465e-07% change)
- linmin: converged after 2 iterations.
- iteration 542: trace = 2.429159985396192 (4.61479e-08% change)
- large trace change predicted (1.71976e-07%)
- linmin: converged after 4 iterations.
- iteration 543: trace = 2.429159981218528 (1.7198e-07% change)
- linmin: converged after 17 iterations.
- iteration 544: trace = 2.429159977633575 (1.4758e-07% change)
- linmin: converged after 4 iterations.
- iteration 545: trace = 2.429159976264367 (5.63655e-08% change)
- large trace change predicted (2.14959e-07%)
- linmin: converged after 10 iterations.
- iteration 546: trace = 2.429159971042408 (2.1497e-07% change)
- linmin: converged after 7 iterations.
- iteration 547: trace = 2.429159967060587 (1.63918e-07% change)
- linmin: converged after 9 iterations.
- iteration 548: trace = 2.42915996621577 (3.47781e-08% change)
- large trace change predicted (1.35427e-07%)
- linmin: converged after 6 iterations.
- iteration 549: trace = 2.429159962925931 (1.35431e-07% change)
- linmin: converged after 32 iterations.
- iteration 550: trace = 2.429159961511705 (5.82187e-08% change)
- linmin: converged after 9 iterations.
- iteration 551: trace = 2.429159960614168 (3.69484e-08% change)
- large trace change predicted (1.1284e-07%)
- linmin: converged after 10 iterations.
- iteration 552: trace = 2.429159957873047 (1.12842e-07% change)
- linmin: converged after 4 iterations.
- iteration 553: trace = 2.429159956828478 (4.30013e-08% change)
- linmin: converged after 4 iterations.
- iteration 554: trace = 2.429159955707717 (4.61378e-08% change)
- linmin: converged after 4 iterations.
- iteration 555: trace = 2.429159953635327 (8.5313e-08% change)
- linmin: converged after 4 iterations.
- iteration 556: trace = 2.429159952567418 (4.39621e-08% change)
- linmin: converged after 4 iterations.
- iteration 557: trace = 2.42915995209386 (1.94947e-08% change)
- linmin: converged after 3 iterations.
- iteration 558: trace = 2.429159951198521 (3.6858e-08% change)
- large trace change predicted (1.36283e-07%)
- linmin: converged after 8 iterations.
- iteration 559: trace = 2.429159947887974 (1.36284e-07% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 560: trace = 2.429159945619617 (9.33803e-08% change)
- linmin: converged after 4 iterations.
- iteration 561: trace = 2.429159944225417 (5.73943e-08% change)
- linmin: converged after 6 iterations.
- iteration 562: trace = 2.429159943810292 (1.70893e-08% change)
- linmin: converged after 4 iterations.
- iteration 563: trace = 2.429159943266191 (2.23987e-08% change)
- large trace change predicted (8.02862e-08%)
- linmin: converged after 5 iterations.
- iteration 564: trace = 2.429159941315925 (8.02856e-08% change)
- linmin: converged after 4 iterations.
- iteration 565: trace = 2.429159940820047 (2.04136e-08% change)
- large trace change predicted (6.08647e-08%)
- linmin: converged after 4 iterations.
- iteration 566: trace = 2.429159939341557 (6.08643e-08% change)
- linmin: converged after 14 iterations.
- iteration 567: trace = 2.429159937987567 (5.5739e-08% change)
- linmin: converged after 4 iterations.
- iteration 568: trace = 2.429159937489906 (2.0487e-08% change)
- large trace change predicted (7.53502e-08%)
- linmin: converged after 10 iterations.
- iteration 569: trace = 2.429159935659628 (7.53461e-08% change)
- linmin: converged after 5 iterations.
- iteration 570: trace = 2.42915993421171 (5.96057e-08% change)
- linmin: converged after 3 iterations.
- iteration 571: trace = 2.429159933553923 (2.70788e-08% change)
- large trace change predicted (1.16014e-07%)
- linmin: converged after 15 iterations.
- iteration 572: trace = 2.429159930735858 (1.1601e-07% change)
- linmin: converged after 11 iterations.
- iteration 573: trace = 2.42915992974513 (4.07848e-08% change)
- large trace change predicted (1.21538e-07%)
- linmin: converged after 26 iterations.
- iteration 574: trace = 2.429159926792872 (1.21534e-07% change)
- linmin: converged after 14 iterations.
- iteration 575: trace = 2.429159924762228 (8.35945e-08% change)
- linmin: converged after 11 iterations.
- iteration 576: trace = 2.429159922770588 (8.19889e-08% change)
- linmin: converged after 7 iterations.
- iteration 577: trace = 2.42915992195133 (3.3726e-08% change)
- large trace change predicted (7.86519e-08%)
- linmin: converged after 4 iterations.
- iteration 578: trace = 2.429159920040788 (7.86503e-08% change)
- linmin: converged after 6 iterations.
- iteration 579: trace = 2.429159919300949 (3.04566e-08% change)
- linmin: converged after 4 iterations.
- iteration 580: trace = 2.429159918469713 (3.4219e-08% change)
- linmin: converged after 19 iterations.
- iteration 581: trace = 2.429159917560508 (3.74288e-08% change)
- linmin: converged after 6 iterations.
- iteration 582: trace = 2.429159917268661 (1.20143e-08% change)
- linmin: converged after 3 iterations.
- iteration 583: trace = 2.429159916816157 (1.8628e-08% change)
- linmin: converged after 6 iterations.
- iteration 584: trace = 2.429159916258878 (2.29412e-08% change)
- linmin: converged after 5 iterations.
- iteration 585: trace = 2.42915991547506 (3.2267e-08% change)
- linmin: converged after 14 iterations.
- iteration 586: trace = 2.429159915268955 (8.48465e-09% change)
- large trace change predicted (4.5446e-08%)
- linmin: converged after 24 iterations.
- iteration 587: trace = 2.429159914164989 (4.54464e-08% change)
- linmin: converged after 5 iterations.
- iteration 588: trace = 2.429159913628775 (2.20741e-08% change)
- linmin: converged after 5 iterations.
- iteration 589: trace = 2.429159913056678 (2.35512e-08% change)
- large trace change predicted (5.75605e-08%)
- linmin: converged after 4 iterations.
- iteration 590: trace = 2.429159911658389 (5.75626e-08% change)
- linmin: converged after 4 iterations.
- iteration 591: trace = 2.429159910347674 (5.39576e-08% change)
- linmin: converged after 6 iterations.
- iteration 592: trace = 2.429159909650985 (2.86802e-08% change)
- large trace change predicted (8.3773e-08%)
- linmin: converged after 17 iterations.
- iteration 593: trace = 2.429159907615959 (8.37749e-08% change)
- linmin: converged after 6 iterations.
- iteration 594: trace = 2.429159907006183 (2.51023e-08% change)
- large trace change predicted (7.01285e-08%)
- linmin: converged after 4 iterations.
- iteration 595: trace = 2.429159905302602 (7.01305e-08% change)
- linmin: converged after 16 iterations.
- iteration 596: trace = 2.429159904225642 (4.43347e-08% change)
- linmin: converged after 6 iterations.
- iteration 597: trace = 2.429159903421816 (3.30907e-08% change)
- linmin: converged after 4 iterations.
- iteration 598: trace = 2.429159902865782 (2.289e-08% change)
- large trace change predicted (4.80762e-08%)
- linmin: converged after 2 iterations.
- iteration 599: trace = 2.429159901697921 (4.80767e-08% change)
- linmin: converged after 4 iterations.
- iteration 600: trace = 2.429159901434025 (1.08637e-08% change)
- large trace change predicted (3.87386e-08%)
- linmin: converged after 4 iterations.
- iteration 601: trace = 2.429159900492991 (3.87391e-08% change)
- linmin: converged after 12 iterations.
- iteration 602: trace = 2.429159899823337 (2.75673e-08% change)
- linmin: converged after 13 iterations.
- iteration 603: trace = 2.429159899480456 (1.41152e-08% change)
- linmin: converged after 5 iterations.
- iteration 604: trace = 2.429159899170993 (1.27395e-08% change)
- linmin: converged after 4 iterations.
- iteration 605: trace = 2.429159898725686 (1.83317e-08% change)
- linmin: converged after 4 iterations.
- iteration 606: trace = 2.429159898475882 (1.02835e-08% change)
- linmin: converged after 3 iterations.
- iteration 607: trace = 2.429159898219494 (1.05546e-08% change)
- large trace change predicted (2.7167e-08%)
- linmin: converged after 4 iterations.
- iteration 608: trace = 2.429159897559575 (2.71666e-08% change)
- linmin: converged after 13 iterations.
- iteration 609: trace = 2.429159897437141 (5.04016e-09% change)
- large trace change predicted (4.4209e-08%)
- linmin: converged after 7 iterations.
- iteration 610: trace = 2.429159896363256 (4.42081e-08% change)
- linmin: converged after 8 iterations.
- iteration 611: trace = 2.429159895991292 (1.53125e-08% change)
- large trace change predicted (3.77759e-08%)
- linmin: converged after 15 iterations.
- iteration 612: trace = 2.429159895073667 (3.77754e-08% change)
- linmin: converged after 4 iterations.
- iteration 613: trace = 2.429159893485998 (6.53588e-08% change)
- linmin: converged after 15 iterations.
- iteration 614: trace = 2.429159891590764 (7.80202e-08% change)
- linmin: converged after 4 iterations.
- iteration 615: trace = 2.429159891078084 (2.11052e-08% change)
- large trace change predicted (4.72098e-08%)
- linmin: converged after 4 iterations.
- iteration 616: trace = 2.429159889931285 (4.72097e-08% change)
- linmin: converged after 4 iterations.
- iteration 617: trace = 2.429159889318 (2.52468e-08% change)
- linmin: converged after 30 iterations.
- iteration 618: trace = 2.429159888699695 (2.54534e-08% change)
- linmin: converged after 7 iterations.
- iteration 619: trace = 2.42915988808479 (2.53135e-08% change)
- linmin: converged after 3 iterations.
- iteration 620: trace = 2.429159887817831 (1.09898e-08% change)
- linmin: converged after 4 iterations.
- iteration 621: trace = 2.429159887443118 (1.54256e-08% change)
- large trace change predicted (3.52274e-08%)
- linmin: converged after 6 iterations.
- iteration 622: trace = 2.429159886587396 (3.52271e-08% change)
- linmin: converged after 4 iterations.
- iteration 623: trace = 2.429159886219932 (1.51272e-08% change)
- linmin: converged after 4 iterations.
- iteration 624: trace = 2.429159885948714 (1.11651e-08% change)
- linmin: converged after 5 iterations.
- iteration 625: trace = 2.429159885480614 (1.927e-08% change)
- linmin: converged after 3 iterations.
- iteration 626: trace = 2.429159885063529 (1.71699e-08% change)
- linmin: converged after 4 iterations.
- iteration 627: trace = 2.429159884801017 (1.08067e-08% change)
- linmin: converged after 24 iterations.
- iteration 628: trace = 2.429159884308785 (2.02635e-08% change)
- linmin: converged after 4 iterations.
- iteration 629: trace = 2.42915988409879 (8.64476e-09% change)
- resetting CG direction...
- linmin: converged after 29 iterations.
- iteration 630: trace = 2.429159883923386 (7.22077e-09% change)
- large trace change predicted (1.59748e-08%)
- linmin: converged after 10 iterations.
- iteration 631: trace = 2.429159883535328 (1.5975e-08% change)
- linmin: converged after 4 iterations.
- iteration 632: trace = 2.429159883309192 (9.30923e-09% change)
- linmin: converged after 14 iterations.
- iteration 633: trace = 2.429159882988082 (1.3219e-08% change)
- linmin: converged after 4 iterations.
- iteration 634: trace = 2.429159882496865 (2.02217e-08% change)
- linmin: converged after 2 iterations.
- iteration 635: trace = 2.429159882247063 (1.02835e-08% change)
- linmin: converged after 25 iterations.
- iteration 636: trace = 2.429159881992391 (1.0484e-08% change)
- large trace change predicted (2.88008e-08%)
- linmin: converged after 6 iterations.
- iteration 637: trace = 2.429159881292772 (2.88008e-08% change)
- linmin: converged after 10 iterations.
- iteration 638: trace = 2.429159880957295 (1.38104e-08% change)
- linmin: converged after 5 iterations.
- iteration 639: trace = 2.429159880728038 (9.43771e-09% change)
- linmin: converged after 11 iterations.
- iteration 640: trace = 2.429159880344708 (1.57804e-08% change)
- linmin: converged after 13 iterations.
- iteration 641: trace = 2.429159879948127 (1.63258e-08% change)
- linmin: converged after 7 iterations.
- iteration 642: trace = 2.429159879561123 (1.59316e-08% change)
- large trace change predicted (3.48015e-08%)
- linmin: converged after 4 iterations.
- iteration 643: trace = 2.429159878715728 (3.48019e-08% change)
- linmin: converged after 4 iterations.
- iteration 644: trace = 2.429159878436534 (1.14935e-08% change)
- large trace change predicted (3.45312e-08%)
- linmin: converged after 7 iterations.
- iteration 645: trace = 2.429159877597703 (3.45317e-08% change)
- linmin: converged after 6 iterations.
- iteration 646: trace = 2.429159876729011 (3.5761e-08% change)
- linmin: converged after 8 iterations.
- iteration 647: trace = 2.429159876464457 (1.08907e-08% change)
- large trace change predicted (2.41291e-08%)
- linmin: converged after 2 iterations.
- iteration 648: trace = 2.429159875878322 (2.41291e-08% change)
- linmin: converged after 4 iterations.
- iteration 649: trace = 2.429159875298402 (2.38733e-08% change)
- linmin: converged after 3 iterations.
- iteration 650: trace = 2.429159875204298 (3.87391e-09% change)
- large trace change predicted (1.46253e-08%)
- linmin: converged after 4 iterations.
- iteration 651: trace = 2.429159874849023 (1.46254e-08% change)
- linmin: converged after 11 iterations.
- iteration 652: trace = 2.429159874748661 (4.13155e-09% change)
- linmin: converged after 27 iterations.
- iteration 653: trace = 2.429159874562753 (7.65319e-09% change)
- linmin: converged after 4 iterations.
- iteration 654: trace = 2.429159874428725 (5.51746e-09% change)
- linmin: converged after 4 iterations.
- iteration 655: trace = 2.429159874216798 (8.72429e-09% change)
- linmin: converged after 2 iterations.
- iteration 656: trace = 2.429159874102526 (4.70418e-09% change)
- large trace change predicted (1.32912e-08%)
- linmin: converged after 9 iterations.
- iteration 657: trace = 2.429159873779663 (1.32911e-08% change)
- linmin: converged after 24 iterations.
- iteration 658: trace = 2.429159873549111 (9.49102e-09% change)
- linmin: converged after 6 iterations.
- iteration 659: trace = 2.429159873373596 (7.22536e-09% change)
- large trace change predicted (2.2156e-08%)
- linmin: converged after 19 iterations.
- iteration 660: trace = 2.429159872835396 (2.21558e-08% change)
- linmin: converged after 3 iterations.
- iteration 661: trace = 2.429159872705757 (5.33676e-09% change)
- large trace change predicted (1.60297e-08%)
- linmin: converged after 31 iterations.
- iteration 662: trace = 2.429159872316372 (1.60296e-08% change)
- linmin: converged after 10 iterations.
- iteration 663: trace = 2.429159871935425 (1.56823e-08% change)
- linmin: converged after 7 iterations.
- iteration 664: trace = 2.429159871486376 (1.84858e-08% change)
- linmin: converged after 6 iterations.
- iteration 665: trace = 2.429159871357078 (5.32276e-09% change)
- large trace change predicted (3.18053e-08%)
- linmin: converged after 5 iterations.
- iteration 666: trace = 2.429159870584503 (3.18042e-08% change)
- linmin: converged after 6 iterations.
- iteration 667: trace = 2.429159870173317 (1.69271e-08% change)
- linmin: converged after 4 iterations.
- iteration 668: trace = 2.429159869950629 (9.16731e-09% change)
- linmin: converged after 4 iterations.
- iteration 669: trace = 2.429159869614651 (1.3831e-08% change)
- linmin: converged after 8 iterations.
- iteration 670: trace = 2.429159869436647 (7.32781e-09% change)
- linmin: converged after 14 iterations.
- iteration 671: trace = 2.429159869217567 (9.01873e-09% change)
- linmin: converged after 15 iterations.
- iteration 672: trace = 2.429159869002919 (8.8363e-09% change)
- linmin: converged after 16 iterations.
- iteration 673: trace = 2.42915986891721 (3.52835e-09% change)
- large trace change predicted (7.80294e-09%)
- linmin: converged after 4 iterations.
- iteration 674: trace = 2.429159868727664 (7.80293e-09% change)
- linmin: converged after 24 iterations.
- iteration 675: trace = 2.429159868574475 (6.30627e-09% change)
- linmin: converged after 21 iterations.
- iteration 676: trace = 2.429159868526776 (1.96361e-09% change)
- linmin: converged after 9 iterations.
- iteration 677: trace = 2.429159868433023 (3.85948e-09% change)
- large trace change predicted (9.62991e-09%)
- linmin: converged after 18 iterations.
- iteration 678: trace = 2.429159868199096 (9.62996e-09% change)
- linmin: converged after 4 iterations.
- iteration 679: trace = 2.429159868151658 (1.95284e-09% change)
- large trace change predicted (1.36815e-08%)
- linmin: converged after 4 iterations.
- iteration 680: trace = 2.429159867819307 (1.36817e-08% change)
- linmin: converged after 6 iterations.
- iteration 681: trace = 2.429159867476866 (1.40971e-08% change)
- linmin: converged after 23 iterations.
- iteration 682: trace = 2.429159867353786 (5.06676e-09% change)
- large trace change predicted (1.91499e-08%)
- linmin: converged after 9 iterations.
- iteration 683: trace = 2.429159866888595 (1.91503e-08% change)
- linmin: converged after 7 iterations.
- iteration 684: trace = 2.429159866552485 (1.38365e-08% change)
- linmin: converged after 18 iterations.
- iteration 685: trace = 2.429159866404837 (6.07814e-09% change)
- large trace change predicted (1.86731e-08%)
- linmin: converged after 4 iterations.
- iteration 686: trace = 2.429159865951227 (1.86736e-08% change)
- linmin: converged after 23 iterations.
- iteration 687: trace = 2.429159865647892 (1.24872e-08% change)
- linmin: converged after 8 iterations.
- iteration 688: trace = 2.429159865493814 (6.34284e-09% change)
- large trace change predicted (1.51764e-08%)
- linmin: converged after 4 iterations.
- iteration 689: trace = 2.42915986512515 (1.51766e-08% change)
- linmin: converged after 31 iterations.
- iteration 690: trace = 2.429159864961798 (6.72467e-09% change)
- linmin: converged after 13 iterations.
- iteration 691: trace = 2.429159864877884 (3.45444e-09% change)
- large trace change predicted (1.31379e-08%)
- linmin: converged after 10 iterations.
- iteration 692: trace = 2.429159864558741 (1.3138e-08% change)
- linmin: converged after 8 iterations.
- iteration 693: trace = 2.429159864388079 (7.02554e-09% change)
- linmin: converged after 15 iterations.
- iteration 694: trace = 2.429159864329951 (2.39295e-09% change)
- large trace change predicted (7.26982e-09%)
- linmin: converged after 28 iterations.
- iteration 695: trace = 2.429159864153355 (7.26982e-09% change)
- linmin: converged after 14 iterations.
- iteration 696: trace = 2.429159864047011 (4.37782e-09% change)
- linmin: converged after 4 iterations.
- iteration 697: trace = 2.42915986398621 (2.50293e-09% change)
- linmin: converged after 7 iterations.
- iteration 698: trace = 2.429159863893809 (3.80383e-09% change)
- large trace change predicted (1.34954e-08%)
- linmin: converged after 20 iterations.
- iteration 699: trace = 2.429159863565991 (1.34951e-08% change)
- resetting CG direction...
- linmin: converged after 6 iterations.
- iteration 700: trace = 2.429159863368707 (8.12149e-09% change)
- linmin: converged after 12 iterations.
- iteration 701: trace = 2.429159863198481 (7.00765e-09% change)
- linmin: converged after 21 iterations.
- iteration 702: trace = 2.429159863161707 (1.51383e-09% change)
- large trace change predicted (3.28016e-09%)
- linmin: converged after 4 iterations.
- iteration 703: trace = 2.429159863082028 (3.2801e-09% change)
- large trace change predicted (6.83995e-09%)
- linmin: converged after 4 iterations.
- iteration 704: trace = 2.429159862915878 (6.83984e-09% change)
- linmin: converged after 18 iterations.
- iteration 705: trace = 2.429159862882806 (1.36145e-09% change)
- large trace change predicted (7.31193e-09%)
- linmin: converged after 20 iterations.
- iteration 706: trace = 2.429159862705189 (7.31187e-09% change)
- linmin: converged after 3 iterations.
- iteration 707: trace = 2.429159862567829 (5.65464e-09% change)
- linmin: converged after 33 iterations.
- iteration 708: trace = 2.42915986249851 (2.85359e-09% change)
- large trace change predicted (8.25612e-09%)
- linmin: converged after 6 iterations.
- iteration 709: trace = 2.429159862297957 (8.25608e-09% change)
- linmin: converged after 2 iterations.
- iteration 710: trace = 2.429159862167181 (5.38356e-09% change)
- linmin: converged after 28 iterations.
- iteration 711: trace = 2.429159862072796 (3.88552e-09% change)
- large trace change predicted (1.01987e-08%)
- linmin: converged after 4 iterations.
- iteration 712: trace = 2.429159861825058 (1.01985e-08% change)
- linmin: converged after 6 iterations.
- iteration 713: trace = 2.429159861654926 (7.00372e-09% change)
- linmin: converged after 4 iterations.
- iteration 714: trace = 2.429159861493386 (6.65006e-09% change)
- linmin: converged after 7 iterations.
- iteration 715: trace = 2.42915986120419 (1.19052e-08% change)
- linmin: converged after 6 iterations.
- iteration 716: trace = 2.42915986112252 (3.36206e-09% change)
- large trace change predicted (7.07413e-09%)
- linmin: converged after 7 iterations.
- iteration 717: trace = 2.42915986095068 (7.07405e-09% change)
- linmin: converged after 12 iterations.
- iteration 718: trace = 2.429159860700708 (1.02905e-08% change)
- linmin: converged after 18 iterations.
- iteration 719: trace = 2.429159860617927 (3.4078e-09% change)
- linmin: converged after 23 iterations.
- iteration 720: trace = 2.429159860521937 (3.95157e-09% change)
- linmin: converged after 16 iterations.
- iteration 721: trace = 2.429159860440143 (3.36716e-09% change)
- linmin: converged after 4 iterations.
- iteration 722: trace = 2.429159860417119 (9.47828e-10% change)
- large trace change predicted (3.15202e-09%)
- linmin: converged after 4 iterations.
- iteration 723: trace = 2.429159860340548 (3.15215e-09% change)
- linmin: converged after 15 iterations.
- iteration 724: trace = 2.429159860295953 (1.83584e-09% change)
- linmin: converged after 9 iterations.
- iteration 725: trace = 2.429159860239705 (2.31553e-09% change)
- linmin: converged after 6 iterations.
- iteration 726: trace = 2.429159860196932 (1.76081e-09% change)
- large trace change predicted (5.06939e-09%)
- linmin: converged after 6 iterations.
- iteration 727: trace = 2.429159860073788 (5.06943e-09% change)
- linmin: converged after 22 iterations.
- iteration 728: trace = 2.42915986005199 (8.97334e-10% change)
- large trace change predicted (5.36955e-09%)
- linmin: converged after 4 iterations.
- iteration 729: trace = 2.429159859921552 (5.36969e-09% change)
- linmin: converged after 4 iterations.
- iteration 730: trace = 2.429159859801484 (4.94278e-09% change)
- linmin: converged after 4 iterations.
- iteration 731: trace = 2.429159859628455 (7.12299e-09% change)
- linmin: converged after 11 iterations.
- iteration 732: trace = 2.429159859563245 (2.68447e-09% change)
- large trace change predicted (7.67191e-09%)
- linmin: converged after 4 iterations.
- iteration 733: trace = 2.429159859376881 (7.67195e-09% change)
- linmin: converged after 4 iterations.
- iteration 734: trace = 2.429159859252292 (5.1289e-09% change)
- linmin: converged after 5 iterations.
- iteration 735: trace = 2.429159859139257 (4.65325e-09% change)
- linmin: converged after 7 iterations.
- iteration 736: trace = 2.42915985900953 (5.34042e-09% change)
- linmin: converged after 18 iterations.
- iteration 737: trace = 2.429159858931232 (3.22323e-09% change)
- linmin: converged after 4 iterations.
- iteration 738: trace = 2.429159858883374 (1.97017e-09% change)
- large trace change predicted (5.35956e-09%)
- linmin: converged after 9 iterations.
- iteration 739: trace = 2.42915985875318 (5.35963e-09% change)
- linmin: converged after 4 iterations.
- iteration 740: trace = 2.429159858672493 (3.32158e-09% change)
- linmin: converged after 16 iterations.
- iteration 741: trace = 2.429159858617272 (2.27326e-09% change)
- linmin: converged after 20 iterations.
- iteration 742: trace = 2.429159858552005 (2.68681e-09% change)
- linmin: converged after 9 iterations.
- iteration 743: trace = 2.429159858526139 (1.06479e-09% change)
- linmin: converged after 7 iterations.
- iteration 744: trace = 2.429159858485464 (1.67447e-09% change)
- linmin: converged after 17 iterations.
- iteration 745: trace = 2.429159858428432 (2.34781e-09% change)
- linmin: converged after 4 iterations.
- iteration 746: trace = 2.429159858394494 (1.3971e-09% change)
- linmin: converged after 2 iterations.
- iteration 747: trace = 2.429159858376924 (7.23293e-10% change)
- large trace change predicted (2.67914e-09%)
- linmin: converged after 11 iterations.
- iteration 748: trace = 2.429159858311844 (2.67913e-09% change)
- linmin: converged after 6 iterations.
- iteration 749: trace = 2.429159858297105 (6.06748e-10% change)
- large trace change predicted (4.60515e-09%)
- linmin: converged after 8 iterations.
- iteration 750: trace = 2.429159858185237 (4.60519e-09% change)
- linmin: converged after 25 iterations.
- iteration 751: trace = 2.429159858070221 (4.73484e-09% change)
- linmin: converged after 13 iterations.
- iteration 752: trace = 2.429159857999704 (2.90293e-09% change)
- linmin: converged after 14 iterations.
- iteration 753: trace = 2.429159857874695 (5.14616e-09% change)
- linmin: converged after 4 iterations.
- iteration 754: trace = 2.429159857737366 (5.65336e-09% change)
- linmin: converged after 4 iterations.
- iteration 755: trace = 2.429159857643179 (3.87734e-09% change)
- linmin: converged after 15 iterations.
- iteration 756: trace = 2.42915985751941 (5.09514e-09% change)
- linmin: converged after 4 iterations.
- iteration 757: trace = 2.429159857414316 (4.32634e-09% change)
- linmin: converged after 4 iterations.
- iteration 758: trace = 2.429159857390589 (9.76786e-10% change)
- large trace change predicted (2.9025e-09%)
- linmin: converged after 8 iterations.
- iteration 759: trace = 2.429159857320083 (2.90248e-09% change)
- linmin: converged after 17 iterations.
- iteration 760: trace = 2.429159857269182 (2.09542e-09% change)
- linmin: converged after 3 iterations.
- iteration 761: trace = 2.429159857240542 (1.179e-09% change)
- linmin: converged after 21 iterations.
- iteration 762: trace = 2.429159857183744 (2.33818e-09% change)
- linmin: converged after 4 iterations.
- iteration 763: trace = 2.429159857119314 (2.65237e-09% change)
- linmin: converged after 4 iterations.
- iteration 764: trace = 2.42915985710589 (5.52598e-10% change)
- large trace change predicted (3.08551e-09%)
- linmin: converged after 14 iterations.
- iteration 765: trace = 2.429159857030935 (3.08562e-09% change)
- linmin: converged after 3 iterations.
- iteration 766: trace = 2.429159856986197 (1.84172e-09% change)
- linmin: converged after 4 iterations.
- iteration 767: trace = 2.429159856963364 (9.39967e-10% change)
- linmin: converged after 3 iterations.
- iteration 768: trace = 2.429159856926341 (1.52408e-09% change)
- large trace change predicted (3.62215e-09%)
- linmin: converged after 3 iterations.
- iteration 769: trace = 2.429159856838353 (3.62219e-09% change)
- resetting CG direction...
- linmin: converged after 8 iterations.
- iteration 770: trace = 2.429159856799472 (1.60059e-09% change)
- linmin: converged after 4 iterations.
- iteration 771: trace = 2.429159856746584 (2.17719e-09% change)
- linmin: converged after 15 iterations.
- iteration 772: trace = 2.429159856716447 (1.24064e-09% change)
- linmin: converged after 4 iterations.
- iteration 773: trace = 2.429159856692969 (9.66493e-10% change)
- linmin: converged after 22 iterations.
- iteration 774: trace = 2.429159856646284 (1.92189e-09% change)
- linmin: converged after 4 iterations.
- iteration 775: trace = 2.429159856610489 (1.47355e-09% change)
- linmin: converged after 2 iterations.
- iteration 776: trace = 2.429159856584426 (1.07289e-09% change)
- large trace change predicted (2.55169e-09%)
- linmin: converged after 17 iterations.
- iteration 777: trace = 2.42915985652244 (2.55176e-09% change)
- linmin: converged after 14 iterations.
- iteration 778: trace = 2.429159856504473 (7.39637e-10% change)
- large trace change predicted (1.88245e-09%)
- linmin: converged after 6 iterations.
- iteration 779: trace = 2.429159856458738 (1.88273e-09% change)
- linmin: converged after 6 iterations.
- iteration 780: trace = 2.429159856419581 (1.61198e-09% change)
- linmin: converged after 18 iterations.
- iteration 781: trace = 2.429159856393265 (1.08333e-09% change)
- linmin: converged after 7 iterations.
- iteration 782: trace = 2.429159856353518 (1.63624e-09% change)
- linmin: converged after 9 iterations.
- iteration 783: trace = 2.429159856283865 (2.86738e-09% change)
- linmin: converged after 4 iterations.
- iteration 784: trace = 2.429159856262734 (8.69875e-10% change)
- large trace change predicted (3.35012e-09%)
- linmin: converged after 21 iterations.
- iteration 785: trace = 2.429159856181355 (3.3501e-09% change)
- linmin: converged after 8 iterations.
- iteration 786: trace = 2.429159856082024 (4.08912e-09% change)
- linmin: converged after 8 iterations.
- iteration 787: trace = 2.429159856052705 (1.20693e-09% change)
- large trace change predicted (3.68821e-09%)
- linmin: converged after 9 iterations.
- iteration 788: trace = 2.429159855963104 (3.68857e-09% change)
- linmin: converged after 21 iterations.
- iteration 789: trace = 2.429159855906845 (2.316e-09% change)
- linmin: converged after 4 iterations.
- iteration 790: trace = 2.429159855878486 (1.16744e-09% change)
- linmin: converged after 6 iterations.
- iteration 791: trace = 2.429159855854222 (9.9887e-10% change)
- linmin: converged after 4 iterations.
- iteration 792: trace = 2.429159855829516 (1.01704e-09% change)
- linmin: converged after 15 iterations.
- iteration 793: trace = 2.429159855821952 (3.11372e-10% change)
- linmin: converged after 15 iterations.
- iteration 794: trace = 2.429159855807795 (5.82817e-10% change)
- linmin: converged after 5 iterations.
- iteration 795: trace = 2.42915985578569 (9.09966e-10% change)
- linmin: converged after 25 iterations.
- iteration 796: trace = 2.42915985577738 (3.42104e-10% change)
- large trace change predicted (1.07094e-09%)
- linmin: converged after 16 iterations.
- iteration 797: trace = 2.429159855751367 (1.07084e-09% change)
- linmin: converged after 4 iterations.
- iteration 798: trace = 2.42915985573058 (8.55743e-10% change)
- linmin: converged after 16 iterations.
- iteration 799: trace = 2.429159855714111 (6.77991e-10% change)
- large trace change predicted (2.15748e-09%)
- linmin: converged after 16 iterations.
- iteration 800: trace = 2.429159855661696 (2.15772e-09% change)
- linmin: converged after 19 iterations.
- iteration 801: trace = 2.429159855624209 (1.5432e-09% change)
- linmin: converged after 6 iterations.
- iteration 802: trace = 2.429159855605723 (7.61026e-10% change)
- large trace change predicted (1.77823e-09%)
- linmin: converged after 4 iterations.
- iteration 803: trace = 2.429159855562526 (1.77823e-09% change)
- linmin: converged after 24 iterations.
- iteration 804: trace = 2.429159855534095 (1.17042e-09% change)
- linmin: converged after 6 iterations.
- iteration 805: trace = 2.429159855512275 (8.98266e-10% change)
- large trace change predicted (3.05571e-09%)
- linmin: converged after 22 iterations.
- iteration 806: trace = 2.429159855438048 (3.05564e-09% change)
- linmin: converged after 17 iterations.
- iteration 807: trace = 2.42915985540259 (1.45969e-09% change)
- linmin: converged after 3 iterations.
- iteration 808: trace = 2.429159855367566 (1.44181e-09% change)
- linmin: converged after 4 iterations.
- iteration 809: trace = 2.429159855322313 (1.86291e-09% change)
- linmin: converged after 6 iterations.
- iteration 810: trace = 2.429159855291077 (1.28587e-09% change)
- linmin: converged after 13 iterations.
- iteration 811: trace = 2.429159855278996 (4.97333e-10% change)
- linmin: converged after 3 iterations.
- iteration 812: trace = 2.429159855256762 (9.15305e-10% change)
- linmin: converged after 18 iterations.
- iteration 813: trace = 2.42915985523806 (7.69875e-10% change)
- linmin: converged after 9 iterations.
- iteration 814: trace = 2.429159855224551 (5.56108e-10% change)
- linmin: converged after 13 iterations.
- iteration 815: trace = 2.429159855203754 (8.56164e-10% change)
- linmin: converged after 4 iterations.
- iteration 816: trace = 2.429159855200197 (1.46417e-10% change)
- large trace change predicted (5.14569e-10%)
- linmin: converged after 4 iterations.
- iteration 817: trace = 2.429159855187692 (5.14791e-10% change)
- linmin: converged after 4 iterations.
- iteration 818: trace = 2.429159855171314 (6.74225e-10% change)
- linmin: converged after 15 iterations.
- iteration 819: trace = 2.429159855164816 (2.67496e-10% change)
- large trace change predicted (7.95636e-10%)
- linmin: converged after 12 iterations.
- iteration 820: trace = 2.429159855145489 (7.95633e-10% change)
- linmin: converged after 4 iterations.
- iteration 821: trace = 2.429159855112638 (1.35234e-09% change)
- linmin: converged after 6 iterations.
- iteration 822: trace = 2.429159855100644 (4.93749e-10% change)
- large trace change predicted (1.91275e-09%)
- linmin: converged after 5 iterations.
- iteration 823: trace = 2.42915985505418 (1.91279e-09% change)
- linmin: converged after 25 iterations.
- iteration 824: trace = 2.429159855017095 (1.52666e-09% change)
- linmin: converged after 6 iterations.
- iteration 825: trace = 2.429159854997339 (8.13293e-10% change)
- large trace change predicted (1.63686e-09%)
- linmin: converged after 4 iterations.
- iteration 826: trace = 2.429159854957575 (1.63692e-09% change)
- linmin: converged after 4 iterations.
- iteration 827: trace = 2.42915985491432 (1.78068e-09% change)
- linmin: converged after 4 iterations.
- iteration 828: trace = 2.429159854907358 (2.86601e-10% change)
- large trace change predicted (1.79346e-09%)
- linmin: converged after 4 iterations.
- iteration 829: trace = 2.42915985486379 (1.79353e-09% change)
- linmin: converged after 18 iterations.
- iteration 830: trace = 2.429159854846151 (7.26108e-10% change)
- linmin: converged after 3 iterations.
- iteration 831: trace = 2.429159854836618 (3.92469e-10% change)
- large trace change predicted (1.09824e-09%)
- linmin: converged after 5 iterations.
- iteration 832: trace = 2.429159854809941 (1.09819e-09% change)
- linmin: converged after 4 iterations.
- iteration 833: trace = 2.429159854791 (7.79747e-10% change)
- linmin: converged after 15 iterations.
- iteration 834: trace = 2.429159854773403 (7.24408e-10% change)
- linmin: converged after 5 iterations.
- iteration 835: trace = 2.429159854767259 (2.52926e-10% change)
- large trace change predicted (8.75339e-10%)
- linmin: converged after 5 iterations.
- iteration 836: trace = 2.429159854745992 (8.75451e-10% change)
- linmin: converged after 12 iterations.
- iteration 837: trace = 2.429159854741384 (1.89726e-10% change)
- linmin: converged after 12 iterations.
- iteration 838: trace = 2.429159854734171 (2.96911e-10% change)
- large trace change predicted (8.58242e-10%)
- linmin: converged after 5 iterations.
- iteration 839: trace = 2.42915985471332 (8.58358e-10% change)
- resetting CG direction...
- linmin: converged after 10 iterations.
- iteration 840: trace = 2.429159854701076 (5.0406e-10% change)
- linmin: converged after 3 iterations.
- iteration 841: trace = 2.429159854691718 (3.8523e-10% change)
- linmin: converged after 14 iterations.
- iteration 842: trace = 2.429159854683122 (3.53859e-10% change)
- linmin: converged after 4 iterations.
- iteration 843: trace = 2.429159854676287 (2.8139e-10% change)
- large trace change predicted (6.23336e-10%)
- linmin: converged after 4 iterations.
- iteration 844: trace = 2.429159854661141 (6.23512e-10% change)
- linmin: converged after 17 iterations.
- iteration 845: trace = 2.429159854645709 (6.35285e-10% change)
- linmin: converged after 12 iterations.
- iteration 846: trace = 2.429159854639871 (2.40312e-10% change)
- large trace change predicted (7.04149e-10%)
- linmin: converged after 8 iterations.
- iteration 847: trace = 2.429159854622764 (7.04225e-10% change)
- linmin: converged after 17 iterations.
- iteration 848: trace = 2.429159854607093 (6.45121e-10% change)
- linmin: converged after 4 iterations.
- iteration 849: trace = 2.429159854597993 (3.74626e-10% change)
- linmin: converged after 13 iterations.
- iteration 850: trace = 2.42915985458078 (7.08595e-10% change)
- linmin: converged after 17 iterations.
- iteration 851: trace = 2.429159854558398 (9.21411e-10% change)
- linmin: converged after 4 iterations.
- iteration 852: trace = 2.429159854548534 (4.06034e-10% change)
- large trace change predicted (1.13783e-09%)
- linmin: converged after 5 iterations.
- iteration 853: trace = 2.429159854520895 (1.13781e-09% change)
- linmin: converged after 7 iterations.
- iteration 854: trace = 2.429159854512265 (3.55285e-10% change)
- large trace change predicted (1.17134e-09%)
- linmin: converged after 5 iterations.
- iteration 855: trace = 2.429159854483814 (1.17123e-09% change)
- linmin: converged after 3 iterations.
- iteration 856: trace = 2.429159854463911 (8.19308e-10% change)
- linmin: converged after 4 iterations.
- iteration 857: trace = 2.429159854456307 (3.13054e-10% change)
- large trace change predicted (1.03806e-09%)
- linmin: converged after 6 iterations.
- iteration 858: trace = 2.429159854431086 (1.03825e-09% change)
- linmin: converged after 3 iterations.
- iteration 859: trace = 2.429159854414688 (6.75066e-10% change)
- linmin: converged after 5 iterations.
- iteration 860: trace = 2.42915985440996 (1.94626e-10% change)
- linmin: converged after 4 iterations.
- iteration 861: trace = 2.429159854403379 (2.70897e-10% change)
- linmin: converged after 3 iterations.
- iteration 862: trace = 2.42915985439579 (3.12432e-10% change)
- linmin: converged after 3 iterations.
- iteration 863: trace = 2.429159854393068 (1.12066e-10% change)
- linmin: converged after 19 iterations.
- iteration 864: trace = 2.429159854388425 (1.91134e-10% change)
- linmin: converged after 19 iterations.
- iteration 865: trace = 2.429159854379216 (3.79105e-10% change)
- linmin: converged after 6 iterations.
- iteration 866: trace = 2.429159854377398 (7.48266e-11% change)
-Finished solving for bands 1 to 10 after 866 iterations.
-tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717
-elapsed time for k point: 7.636591672897339
-solve_kpoint (0,0,0):
-Solving for bands 2 to 10...
- linmin: converged after 4 iterations.
- iteration 1: trace = 2.433380540443908 (3.19205% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.422814270845926 (0.435167% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.410436633345728 (0.512187% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 2.404737571830875 (0.236713% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 2.402921500695339 (0.0755491% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 2.401560398915169 (0.0566597% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 2.401273649453677 (0.0119408% change)
- large trace change predicted (0.0255602%)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.400660459304371 (0.0255393% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 2.400394246180625 (0.0110898% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.400303559085161 (0.00377808% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.400130188695215 (0.00722311% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 2.400008428418248 (0.0050732% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.399912618969685 (0.00399213% change)
- large trace change predicted (0.0102643%)
- linmin: converged after 4 iterations.
- iteration 14: trace = 2.399666162208103 (0.0102699% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 2.399556898464543 (0.00455339% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 2.399371920601187 (0.00770913% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 2.399289107657486 (0.0034515% change)
- large trace change predicted (0.00782311%)
- linmin: converged after 4 iterations.
- iteration 18: trace = 2.399101380466638 (0.00782459% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 2.398879607343093 (0.00924444% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 2.398649900044041 (0.00957607% change)
- large trace change predicted (0.0239448%)
- linmin: converged after 4 iterations.
- iteration 21: trace = 2.398075312221482 (0.0239575% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 2.397887143624137 (0.00784696% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 2.397522325941974 (0.0152153% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 2.397281858636066 (0.0100303% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 2.396981285049889 (0.0125389% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 2.396715640950408 (0.0110831% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 2.396618634307997 (0.00404756% change)
- large trace change predicted (0.00900769%)
- linmin: converged after 4 iterations.
- iteration 28: trace = 2.39640287096897 (0.00900323% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 2.396349203684576 (0.00223952% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 2.396256460549653 (0.00387026% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 2.396207672473087 (0.00203603% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 2.396167671844039 (0.00166934% change)
- large trace change predicted (0.00396794%)
- linmin: converged after 4 iterations.
- iteration 33: trace = 2.396072600306302 (0.00396773% change)
- linmin: converged after 10 iterations.
- iteration 34: trace = 2.396038797047905 (0.00141079% change)
- large trace change predicted (0.00652598%)
- linmin: converged after 3 iterations.
- iteration 35: trace = 2.395882486755531 (0.00652391% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 2.39583268550148 (0.00207864% change)
- large trace change predicted (0.00897502%)
- linmin: converged after 19 iterations.
- iteration 37: trace = 2.395617670293436 (0.00897495% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 2.395533925149891 (0.00349583% change)
- large trace change predicted (0.00705092%)
- linmin: converged after 4 iterations.
- iteration 39: trace = 2.395364976008042 (0.00705292% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 2.395255848588221 (0.00455588% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 2.395086682673956 (0.00706279% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 2.395028276850285 (0.0024386% change)
- large trace change predicted (0.00633155%)
- linmin: converged after 4 iterations.
- iteration 43: trace = 2.394876576935001 (0.00633415% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 2.394823829384971 (0.00220254% change)
- large trace change predicted (0.00784733%)
- linmin: converged after 4 iterations.
- iteration 45: trace = 2.394635887865348 (0.00784813% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 2.394551761799004 (0.00351317% change)
- large trace change predicted (0.0073079%)
- linmin: converged after 4 iterations.
- iteration 47: trace = 2.39437664010452 (0.00731361% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 2.394320470662205 (0.00234592% change)
- large trace change predicted (0.0069281%)
- linmin: converged after 4 iterations.
- iteration 49: trace = 2.394154559956638 (0.00692958% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 2.394120839362857 (0.00140847% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 2.394082460171509 (0.00160307% change)
- linmin: converged after 5 iterations.
- iteration 52: trace = 2.394061914459259 (0.000858191% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 2.394035856508216 (0.00108845% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 2.394025508527441 (0.000432241% change)
- large trace change predicted (0.00106382%)
- linmin: converged after 4 iterations.
- iteration 55: trace = 2.394000031388523 (0.0010642% change)
- linmin: converged after 15 iterations.
- iteration 56: trace = 2.393990078074366 (0.000415762% change)
- large trace change predicted (0.00147078%)
- linmin: converged after 7 iterations.
- iteration 57: trace = 2.393954870434198 (0.00147068% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 2.393941142087391 (0.000573461% change)
- large trace change predicted (0.00230683%)
- linmin: converged after 4 iterations.
- iteration 59: trace = 2.393885915757343 (0.00230695% change)
- linmin: converged after 5 iterations.
- iteration 60: trace = 2.393856958966908 (0.00120962% change)
- large trace change predicted (0.00352012%)
- linmin: converged after 4 iterations.
- iteration 61: trace = 2.393772751502206 (0.00351771% change)
- linmin: converged after 5 iterations.
- iteration 62: trace = 2.393670096484641 (0.00428851% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 2.393605449449459 (0.00270079% change)
- linmin: converged after 2 iterations.
- iteration 64: trace = 2.39348721716155 (0.00493963% change)
- linmin: converged after 12 iterations.
- iteration 65: trace = 2.393448255782342 (0.00162782% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 2.393405376638453 (0.00179154% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 2.393387851887911 (0.000732213% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 2.393359848955133 (0.00117002% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 2.39334836002617 (0.000480035% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 70: trace = 2.393343745289685 (0.000192815% change)
- linmin: converged after 5 iterations.
- iteration 71: trace = 2.393336290163514 (0.000311495% change)
- linmin: converged after 5 iterations.
- iteration 72: trace = 2.393333528458225 (0.000115392% change)
- linmin: converged after 5 iterations.
- iteration 73: trace = 2.393329051569193 (0.000187057% change)
- large trace change predicted (0.000413346%)
- linmin: converged after 4 iterations.
- iteration 74: trace = 2.393319158534369 (0.00041336% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 2.393315853870198 (0.000138079% change)
- large trace change predicted (0.000436214%)
- linmin: converged after 2 iterations.
- iteration 76: trace = 2.39330541376668 (0.00043622% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 2.393296326460743 (0.000379698% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 2.393291292967413 (0.000210317% change)
- large trace change predicted (0.000432557%)
- linmin: converged after 4 iterations.
- iteration 79: trace = 2.393280939562352 (0.000432602% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 2.39327663525763 (0.00017985% change)
- large trace change predicted (0.000406519%)
- linmin: converged after 4 iterations.
- iteration 81: trace = 2.393266901750644 (0.000406703% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 2.393256954513477 (0.000415635% change)
- large trace change predicted (0.000838335%)
- linmin: converged after 3 iterations.
- iteration 83: trace = 2.393236893839753 (0.00083822% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 2.393229151551698 (0.000323507% change)
- large trace change predicted (0.000990682%)
- linmin: converged after 4 iterations.
- iteration 85: trace = 2.393205436576264 (0.000990924% change)
- linmin: converged after 4 iterations.
- iteration 86: trace = 2.393198578307199 (0.000286573% change)
- large trace change predicted (0.000615433%)
- linmin: converged after 3 iterations.
- iteration 87: trace = 2.393183852797637 (0.000615309% change)
- linmin: converged after 4 iterations.
- iteration 88: trace = 2.393179757428099 (0.000171127% change)
- linmin: converged after 4 iterations.
- iteration 89: trace = 2.393172467192238 (0.000304626% change)
- linmin: converged after 4 iterations.
- iteration 90: trace = 2.393169671714642 (0.000116811% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 2.393166883827487 (0.000116494% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 2.393163551325879 (0.000139251% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 2.393162792558882 (3.17056e-05% change)
- large trace change predicted (8.2246e-05%)
- linmin: converged after 2 iterations.
- iteration 94: trace = 2.39316082390683 (8.22616e-05% change)
- linmin: converged after 5 iterations.
- iteration 95: trace = 2.393159318219231 (6.29163e-05% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 2.393158376036829 (3.93698e-05% change)
- large trace change predicted (9.19929e-05%)
- linmin: converged after 3 iterations.
- iteration 97: trace = 2.393156174692149 (9.1985e-05% change)
- linmin: converged after 4 iterations.
- iteration 98: trace = 2.39315509903598 (4.49472e-05% change)
- linmin: converged after 4 iterations.
- iteration 99: trace = 2.393153692442706 (5.87757e-05% change)
- large trace change predicted (0.00011818%)
- linmin: converged after 4 iterations.
- iteration 100: trace = 2.393150863866867 (0.000118195% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 2.393149740538012 (4.69393e-05% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 2.393148415427696 (5.5371e-05% change)
- large trace change predicted (0.000131314%)
- linmin: converged after 5 iterations.
- iteration 103: trace = 2.393145273280542 (0.000131298% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 2.393143669401702 (6.70197e-05% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 2.393142533348935 (4.74712e-05% change)
- large trace change predicted (0.000112145%)
- linmin: converged after 4 iterations.
- iteration 106: trace = 2.393139849250136 (0.000112158% change)
- linmin: converged after 4 iterations.
- iteration 107: trace = 2.393137817393968 (8.49034e-05% change)
- linmin: converged after 12 iterations.
- iteration 108: trace = 2.393136704130331 (4.6519e-05% change)
- large trace change predicted (0.000101756%)
- linmin: converged after 3 iterations.
- iteration 109: trace = 2.393134269347164 (0.00010174% change)
- linmin: converged after 3 iterations.
- iteration 110: trace = 2.393131325463725 (0.000123014% change)
- linmin: converged after 2 iterations.
- iteration 111: trace = 2.393130135487137 (4.97247e-05% change)
- linmin: converged after 5 iterations.
- iteration 112: trace = 2.393128824267314 (5.4791e-05% change)
- large trace change predicted (0.000127429%)
- linmin: converged after 2 iterations.
- iteration 113: trace = 2.393125774190403 (0.000127452% change)
- linmin: converged after 4 iterations.
- iteration 114: trace = 2.393123385982424 (9.97946e-05% change)
- linmin: converged after 4 iterations.
- iteration 115: trace = 2.393122031517405 (5.65982e-05% change)
- large trace change predicted (0.000116378%)
- linmin: converged after 5 iterations.
- iteration 116: trace = 2.393119246533655 (0.000116375% change)
- linmin: converged after 3 iterations.
- iteration 117: trace = 2.39311473425312 (0.000188552% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 2.393112592624688 (8.94913e-05% change)
- linmin: converged after 4 iterations.
- iteration 119: trace = 2.393111107995308 (6.20376e-05% change)
- large trace change predicted (0.000135552%)
- linmin: converged after 4 iterations.
- iteration 120: trace = 2.393107863849913 (0.000135562% change)
- linmin: converged after 4 iterations.
- iteration 121: trace = 2.39310461183116 (0.000135891% change)
- linmin: converged after 5 iterations.
- iteration 122: trace = 2.393103201879602 (5.89173e-05% change)
- linmin: converged after 4 iterations.
- iteration 123: trace = 2.393101406094368 (7.50401e-05% change)
- linmin: converged after 3 iterations.
- iteration 124: trace = 2.393098182873616 (0.000134688% change)
- linmin: converged after 5 iterations.
- iteration 125: trace = 2.393096476832181 (7.12901e-05% change)
- linmin: converged after 3 iterations.
- iteration 126: trace = 2.393095499942862 (4.08212e-05% change)
- large trace change predicted (8.82179e-05%)
- linmin: converged after 2 iterations.
- iteration 127: trace = 2.393093388798312 (8.82182e-05% change)
- linmin: converged after 2 iterations.
- iteration 128: trace = 2.393091334430655 (8.58457e-05% change)
- linmin: converged after 5 iterations.
- iteration 129: trace = 2.393090633976008 (2.92699e-05% change)
- linmin: converged after 6 iterations.
- iteration 130: trace = 2.393089820989904 (3.39722e-05% change)
- linmin: converged after 4 iterations.
- iteration 131: trace = 2.393088521909926 (5.42846e-05% change)
- linmin: converged after 3 iterations.
- iteration 132: trace = 2.393088028506677 (2.06178e-05% change)
- linmin: converged after 4 iterations.
- iteration 133: trace = 2.393087763775035 (1.10623e-05% change)
- linmin: converged after 2 iterations.
- iteration 134: trace = 2.393087259231091 (2.10834e-05% change)
- linmin: converged after 2 iterations.
- iteration 135: trace = 2.393086937049219 (1.3463e-05% change)
- linmin: converged after 2 iterations.
- iteration 136: trace = 2.393086725461289 (8.84163e-06% change)
- large trace change predicted (2.47207e-05%)
- linmin: converged after 9 iterations.
- iteration 137: trace = 2.393086133884916 (2.47202e-05% change)
- linmin: converged after 4 iterations.
- iteration 138: trace = 2.39308566554791 (1.95704e-05% change)
- linmin: converged after 3 iterations.
- iteration 139: trace = 2.393085449601296 (9.02377e-06% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 140: trace = 2.39308502884997 (1.7582e-05% change)
- linmin: converged after 2 iterations.
- iteration 141: trace = 2.393084536958866 (2.05547e-05% change)
- linmin: converged after 3 iterations.
- iteration 142: trace = 2.393083820482782 (2.99394e-05% change)
- linmin: converged after 4 iterations.
- iteration 143: trace = 2.393083526739307 (1.22747e-05% change)
- large trace change predicted (4.71917e-05%)
- linmin: converged after 2 iterations.
- iteration 144: trace = 2.393082397382467 (4.71925e-05% change)
- linmin: converged after 3 iterations.
- iteration 145: trace = 2.39308066676745 (7.23174e-05% change)
- linmin: converged after 4 iterations.
- iteration 146: trace = 2.393079816571708 (3.55273e-05% change)
- large trace change predicted (0.000101402%)
- linmin: converged after 2 iterations.
- iteration 147: trace = 2.393077389834342 (0.000101407% change)
- linmin: converged after 3 iterations.
- iteration 148: trace = 2.393076080789317 (5.47013e-05% change)
- linmin: converged after 2 iterations.
- iteration 149: trace = 2.393074908838823 (4.89726e-05% change)
- linmin: converged after 2 iterations.
- iteration 150: trace = 2.393073055168203 (7.74598e-05% change)
- linmin: converged after 4 iterations.
- iteration 151: trace = 2.393072214325346 (3.51365e-05% change)
- linmin: converged after 3 iterations.
- iteration 152: trace = 2.393070903220508 (5.47875e-05% change)
- linmin: converged after 4 iterations.
- iteration 153: trace = 2.393070066007435 (3.49849e-05% change)
- linmin: converged after 3 iterations.
- iteration 154: trace = 2.393069538738395 (2.20332e-05% change)
- linmin: converged after 4 iterations.
- iteration 155: trace = 2.393068663668274 (3.65669e-05% change)
- linmin: converged after 4 iterations.
- iteration 156: trace = 2.393068316374694 (1.45125e-05% change)
- linmin: converged after 2 iterations.
- iteration 157: trace = 2.393067753825754 (2.35074e-05% change)
- linmin: converged after 2 iterations.
- iteration 158: trace = 2.39306703832884 (2.98987e-05% change)
- linmin: converged after 3 iterations.
- iteration 159: trace = 2.393066739158407 (1.25015e-05% change)
- large trace change predicted (3.14955e-05%)
- linmin: converged after 2 iterations.
- iteration 160: trace = 2.393065985438088 (3.1496e-05% change)
- linmin: converged after 2 iterations.
- iteration 161: trace = 2.393065805975977 (7.49925e-06% change)
- large trace change predicted (3.2449e-05%)
- linmin: converged after 3 iterations.
- iteration 162: trace = 2.393065029487567 (3.24474e-05% change)
- linmin: converged after 2 iterations.
- iteration 163: trace = 2.393064669039104 (1.50622e-05% change)
- linmin: converged after 2 iterations.
- iteration 164: trace = 2.393064330504958 (1.41465e-05% change)
- large trace change predicted (4.74953e-05%)
- linmin: converged after 4 iterations.
- iteration 165: trace = 2.393063193941383 (4.74941e-05% change)
- linmin: converged after 4 iterations.
- iteration 166: trace = 2.393062780381473 (1.72816e-05% change)
- large trace change predicted (0.000101911%)
- linmin: converged after 5 iterations.
- iteration 167: trace = 2.39306034154255 (0.000101913% change)
- linmin: converged after 2 iterations.
- iteration 168: trace = 2.393059051116956 (5.39237e-05% change)
- linmin: converged after 3 iterations.
- iteration 169: trace = 2.393057311660742 (7.26876e-05% change)
- linmin: converged after 2 iterations.
- iteration 170: trace = 2.393055656564893 (6.91624e-05% change)
- linmin: converged after 4 iterations.
- iteration 171: trace = 2.39305490407619 (3.14447e-05% change)
- linmin: converged after 3 iterations.
- iteration 172: trace = 2.393053649332267 (5.24327e-05% change)
- linmin: converged after 12 iterations.
- iteration 173: trace = 2.393053130453571 (2.16827e-05% change)
- linmin: converged after 2 iterations.
- iteration 174: trace = 2.393052444950696 (2.86455e-05% change)
- linmin: converged after 3 iterations.
- iteration 175: trace = 2.39305210922459 (1.40292e-05% change)
- linmin: converged after 2 iterations.
- iteration 176: trace = 2.393051628308182 (2.00964e-05% change)
- linmin: converged after 2 iterations.
- iteration 177: trace = 2.393051361702711 (1.11408e-05% change)
- linmin: converged after 4 iterations.
- iteration 178: trace = 2.393051191533071 (7.11099e-06% change)
- large trace change predicted (1.64433e-05%)
- linmin: converged after 2 iterations.
- iteration 179: trace = 2.393050798027882 (1.64437e-05% change)
- linmin: converged after 6 iterations.
- iteration 180: trace = 2.393050730610346 (2.81722e-06% change)
- large trace change predicted (1.09261e-05%)
- linmin: converged after 2 iterations.
- iteration 181: trace = 2.393050469140827 (1.09262e-05% change)
- linmin: converged after 2 iterations.
- iteration 182: trace = 2.393050352370547 (4.87956e-06% change)
- linmin: converged after 30 iterations.
- iteration 183: trace = 2.393050240136758 (4.68999e-06% change)
- linmin: converged after 2 iterations.
- iteration 184: trace = 2.39305012344129 (4.87643e-06% change)
- linmin: converged after 3 iterations.
- iteration 185: trace = 2.393050007224261 (4.85644e-06% change)
- large trace change predicted (3.59006e-05%)
- linmin: converged after 3 iterations.
- iteration 186: trace = 2.393049148137522 (3.58992e-05% change)
- linmin: converged after 4 iterations.
- iteration 187: trace = 2.393048897864501 (1.04583e-05% change)
- large trace change predicted (5.16567e-05%)
- linmin: converged after 10 iterations.
- iteration 188: trace = 2.393047661810293 (5.16519e-05% change)
- linmin: converged after 2 iterations.
- iteration 189: trace = 2.393047288582124 (1.55964e-05% change)
- large trace change predicted (4.74302e-05%)
- linmin: converged after 2 iterations.
- iteration 190: trace = 2.393046153552176 (4.74303e-05% change)
- linmin: converged after 3 iterations.
- iteration 191: trace = 2.393045660119894 (2.06194e-05% change)
- linmin: converged after 3 iterations.
- iteration 192: trace = 2.393044848532964 (3.39144e-05% change)
- linmin: converged after 2 iterations.
- iteration 193: trace = 2.393044152710887 (2.90769e-05% change)
- linmin: converged after 3 iterations.
- iteration 194: trace = 2.393043747296282 (1.69414e-05% change)
- linmin: converged after 3 iterations.
- iteration 195: trace = 2.393043452226482 (1.23303e-05% change)
- linmin: converged after 2 iterations.
- iteration 196: trace = 2.393043367892586 (3.52413e-06% change)
- linmin: converged after 3 iterations.
- iteration 197: trace = 2.393043233774954 (5.60448e-06% change)
- linmin: converged after 3 iterations.
- iteration 198: trace = 2.393043202141304 (1.3219e-06% change)
- linmin: converged after 3 iterations.
- iteration 199: trace = 2.393043140861097 (2.56076e-06% change)
- linmin: converged after 3 iterations.
- iteration 200: trace = 2.393043111103555 (1.2435e-06% change)
- linmin: converged after 2 iterations.
- iteration 201: trace = 2.393043071055111 (1.67354e-06% change)
- large trace change predicted (3.98465e-06%)
- linmin: converged after 2 iterations.
- iteration 202: trace = 2.39304297570062 (3.98465e-06% change)
- linmin: converged after 4 iterations.
- iteration 203: trace = 2.393042910833788 (2.71064e-06% change)
- large trace change predicted (5.69781e-06%)
- linmin: converged after 2 iterations.
- iteration 204: trace = 2.393042774477892 (5.69801e-06% change)
- linmin: converged after 4 iterations.
- iteration 205: trace = 2.393042679468776 (3.97022e-06% change)
- linmin: converged after 2 iterations.
- iteration 206: trace = 2.393042568613512 (4.6324e-06% change)
- linmin: converged after 3 iterations.
- iteration 207: trace = 2.393042508364706 (2.51767e-06% change)
- large trace change predicted (5.53465e-06%)
- linmin: converged after 18 iterations.
- iteration 208: trace = 2.393042375921082 (5.53453e-06% change)
- linmin: converged after 3 iterations.
- iteration 209: trace = 2.393042310229137 (2.74512e-06% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 210: trace = 2.393042263551757 (1.95055e-06% change)
- linmin: converged after 2 iterations.
- iteration 211: trace = 2.393042191343329 (3.01743e-06% change)
- linmin: converged after 3 iterations.
- iteration 212: trace = 2.393042159208187 (1.34286e-06% change)
- linmin: converged after 2 iterations.
- iteration 213: trace = 2.39304209725361 (2.58895e-06% change)
- linmin: converged after 2 iterations.
- iteration 214: trace = 2.393042008034098 (3.72829e-06% change)
- linmin: converged after 3 iterations.
- iteration 215: trace = 2.393041988174821 (8.29876e-07% change)
- large trace change predicted (2.7594e-06%)
- linmin: converged after 2 iterations.
- iteration 216: trace = 2.393041922139514 (2.75947e-06% change)
- linmin: converged after 2 iterations.
- iteration 217: trace = 2.39304191065354 (4.79974e-07% change)
- large trace change predicted (1.05679e-06%)
- linmin: converged after 2 iterations.
- iteration 218: trace = 2.393041885363711 (1.05681e-06% change)
- linmin: converged after 10 iterations.
- iteration 219: trace = 2.393041870454308 (6.23031e-07% change)
- linmin: converged after 2 iterations.
- iteration 220: trace = 2.393041860270376 (4.25564e-07% change)
- large trace change predicted (1.07954e-06%)
- linmin: converged after 2 iterations.
- iteration 221: trace = 2.393041834436323 (1.07955e-06% change)
- linmin: converged after 4 iterations.
- iteration 222: trace = 2.393041824340318 (4.2189e-07% change)
- large trace change predicted (2.20794e-06%)
- linmin: converged after 2 iterations.
- iteration 223: trace = 2.393041771502983 (2.20796e-06% change)
- linmin: converged after 11 iterations.
- iteration 224: trace = 2.393041731067234 (1.68972e-06% change)
- linmin: converged after 5 iterations.
- iteration 225: trace = 2.393041677725967 (2.22902e-06% change)
- linmin: converged after 2 iterations.
- iteration 226: trace = 2.393041595792564 (3.42382e-06% change)
- linmin: converged after 5 iterations.
- iteration 227: trace = 2.393041565391169 (1.27041e-06% change)
- large trace change predicted (2.87587e-06%)
- linmin: converged after 2 iterations.
- iteration 228: trace = 2.393041496569008 (2.87593e-06% change)
- linmin: converged after 2 iterations.
- iteration 229: trace = 2.393041460433195 (1.51004e-06% change)
- linmin: converged after 4 iterations.
- iteration 230: trace = 2.393041391788444 (2.86851e-06% change)
- linmin: converged after 2 iterations.
- iteration 231: trace = 2.393041352107085 (1.6582e-06% change)
- linmin: converged after 25 iterations.
- iteration 232: trace = 2.393041313737028 (1.6034e-06% change)
- linmin: converged after 18 iterations.
- iteration 233: trace = 2.393041296804725 (7.07564e-07% change)
- linmin: converged after 3 iterations.
- iteration 234: trace = 2.393041285423392 (4.75601e-07% change)
- linmin: converged after 2 iterations.
- iteration 235: trace = 2.393041270302679 (6.31862e-07% change)
- linmin: converged after 9 iterations.
- iteration 236: trace = 2.393041264402567 (2.46553e-07% change)
- large trace change predicted (8.41609e-07%)
- linmin: converged after 12 iterations.
- iteration 237: trace = 2.393041244262636 (8.41604e-07% change)
- linmin: converged after 13 iterations.
- iteration 238: trace = 2.393041234996021 (3.87232e-07% change)
- linmin: converged after 2 iterations.
- iteration 239: trace = 2.39304122302502 (5.00242e-07% change)
- linmin: converged after 9 iterations.
- iteration 240: trace = 2.393041213605773 (3.9361e-07% change)
- linmin: converged after 2 iterations.
- iteration 241: trace = 2.393041206373835 (3.02207e-07% change)
- linmin: converged after 2 iterations.
- iteration 242: trace = 2.393041200244062 (2.5615e-07% change)
- linmin: converged after 2 iterations.
- iteration 243: trace = 2.393041188949209 (4.71987e-07% change)
- linmin: converged after 2 iterations.
- iteration 244: trace = 2.39304118225587 (2.797e-07% change)
- large trace change predicted (8.07156e-07%)
- linmin: converged after 3 iterations.
- iteration 245: trace = 2.393041162939943 (8.07171e-07% change)
- linmin: converged after 4 iterations.
- iteration 246: trace = 2.393041142348072 (8.6049e-07% change)
- large trace change predicted (1.79366e-06%)
- linmin: converged after 2 iterations.
- iteration 247: trace = 2.393041099424753 (1.79367e-06% change)
- linmin: converged after 2 iterations.
- iteration 248: trace = 2.393041058235112 (1.72123e-06% change)
- linmin: converged after 7 iterations.
- iteration 249: trace = 2.393040993189666 (2.71811e-06% change)
- linmin: converged after 2 iterations.
- iteration 250: trace = 2.393040943073716 (2.09424e-06% change)
- large trace change predicted (5.70412e-06%)
- linmin: converged after 3 iterations.
- iteration 251: trace = 2.393040806572129 (5.70411e-06% change)
- linmin: converged after 2 iterations.
- iteration 252: trace = 2.393040766142772 (1.68946e-06% change)
- large trace change predicted (3.48826e-06%)
- linmin: converged after 4 iterations.
- iteration 253: trace = 2.39304068266847 (3.48821e-06% change)
- linmin: converged after 5 iterations.
- iteration 254: trace = 2.393040662878805 (8.26967e-07% change)
- large trace change predicted (1.7113e-06%)
- linmin: converged after 12 iterations.
- iteration 255: trace = 2.393040621927048 (1.71129e-06% change)
- linmin: converged after 19 iterations.
- iteration 256: trace = 2.39304061301991 (3.7221e-07% change)
- linmin: converged after 2 iterations.
- iteration 257: trace = 2.393040595884254 (7.16062e-07% change)
- linmin: converged after 3 iterations.
- iteration 258: trace = 2.393040590075302 (2.42744e-07% change)
- large trace change predicted (5.30346e-07%)
- linmin: converged after 6 iterations.
- iteration 259: trace = 2.393040577383956 (5.30344e-07% change)
- linmin: converged after 12 iterations.
- iteration 260: trace = 2.393040571405063 (2.49845e-07% change)
- large trace change predicted (5.10073e-07%)
- linmin: converged after 13 iterations.
- iteration 261: trace = 2.393040559198907 (5.10069e-07% change)
- linmin: converged after 3 iterations.
- iteration 262: trace = 2.39304054768731 (4.81045e-07% change)
- linmin: converged after 2 iterations.
- iteration 263: trace = 2.393040530831366 (7.04373e-07% change)
- linmin: converged after 3 iterations.
- iteration 264: trace = 2.393040516593679 (5.94962e-07% change)
- linmin: converged after 2 iterations.
- iteration 265: trace = 2.393040506125241 (4.37453e-07% change)
- large trace change predicted (1.35114e-06%)
- linmin: converged after 11 iterations.
- iteration 266: trace = 2.393040473792318 (1.35112e-06% change)
- linmin: converged after 4 iterations.
- iteration 267: trace = 2.393040464223768 (3.99849e-07% change)
- large trace change predicted (1.79378e-06%)
- linmin: converged after 13 iterations.
- iteration 268: trace = 2.393040421298389 (1.79376e-06% change)
- linmin: converged after 23 iterations.
- iteration 269: trace = 2.393040410675259 (4.43918e-07% change)
- large trace change predicted (1.67652e-06%)
- linmin: converged after 28 iterations.
- iteration 270: trace = 2.393040370556017 (1.6765e-06% change)
- linmin: converged after 6 iterations.
- iteration 271: trace = 2.393040347284755 (9.72456e-07% change)
- linmin: converged after 17 iterations.
- iteration 272: trace = 2.393040318102536 (1.21946e-06% change)
- large trace change predicted (2.59327e-06%)
- linmin: converged after 4 iterations.
- iteration 273: trace = 2.393040256045588 (2.59323e-06% change)
- linmin: converged after 2 iterations.
- iteration 274: trace = 2.393040229145719 (1.12409e-06% change)
- large trace change predicted (2.33597e-06%)
- linmin: converged after 4 iterations.
- iteration 275: trace = 2.393040173245435 (2.33595e-06% change)
- linmin: converged after 2 iterations.
- iteration 276: trace = 2.393040137066297 (1.51185e-06% change)
- linmin: converged after 2 iterations.
- iteration 277: trace = 2.393040092276517 (1.87167e-06% change)
- linmin: converged after 9 iterations.
- iteration 278: trace = 2.393040079006626 (5.5452e-07% change)
- large trace change predicted (1.17469e-06%)
- linmin: converged after 3 iterations.
- iteration 279: trace = 2.393040050895917 (1.17469e-06% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 280: trace = 2.393040043584102 (3.05545e-07% change)
- linmin: converged after 6 iterations.
- iteration 281: trace = 2.393040035910132 (3.20679e-07% change)
- linmin: converged after 2 iterations.
- iteration 282: trace = 2.39304002554926 (4.32959e-07% change)
- linmin: converged after 4 iterations.
- iteration 283: trace = 2.393040020108439 (2.2736e-07% change)
- large trace change predicted (7.27753e-07%)
- linmin: converged after 3 iterations.
- iteration 284: trace = 2.393040002693031 (7.27753e-07% change)
- linmin: converged after 3 iterations.
- iteration 285: trace = 2.393039984439687 (7.62768e-07% change)
- linmin: converged after 2 iterations.
- iteration 286: trace = 2.393039961230745 (9.69852e-07% change)
- linmin: converged after 2 iterations.
- iteration 287: trace = 2.393039933065368 (1.17697e-06% change)
- linmin: converged after 20 iterations.
- iteration 288: trace = 2.393039925243141 (3.26874e-07% change)
- large trace change predicted (7.62461e-07%)
- linmin: converged after 2 iterations.
- iteration 289: trace = 2.393039906997088 (7.62463e-07% change)
- linmin: converged after 3 iterations.
- iteration 290: trace = 2.393039896953985 (4.1968e-07% change)
- linmin: converged after 3 iterations.
- iteration 291: trace = 2.393039885902561 (4.61815e-07% change)
- linmin: converged after 2 iterations.
- iteration 292: trace = 2.393039866000343 (8.31671e-07% change)
- linmin: converged after 2 iterations.
- iteration 293: trace = 2.393039858238609 (3.24346e-07% change)
- large trace change predicted (8.20026e-07%)
- linmin: converged after 4 iterations.
- iteration 294: trace = 2.393039838615123 (8.20023e-07% change)
- linmin: converged after 3 iterations.
- iteration 295: trace = 2.393039834963349 (1.526e-07% change)
- large trace change predicted (3.34975e-07%)
- linmin: converged after 2 iterations.
- iteration 296: trace = 2.393039826947258 (3.34975e-07% change)
- linmin: converged after 23 iterations.
- iteration 297: trace = 2.393039821890845 (2.11297e-07% change)
- linmin: converged after 3 iterations.
- iteration 298: trace = 2.393039819754568 (8.92704e-08% change)
- large trace change predicted (1.78855e-07%)
- linmin: converged after 2 iterations.
- iteration 299: trace = 2.393039815474498 (1.78855e-07% change)
- linmin: converged after 6 iterations.
- iteration 300: trace = 2.393039814588436 (3.70266e-08% change)
- large trace change predicted (1.68951e-07%)
- linmin: converged after 3 iterations.
- iteration 301: trace = 2.393039810545384 (1.6895e-07% change)
- linmin: converged after 4 iterations.
- iteration 302: trace = 2.393039808764906 (7.44023e-08% change)
- large trace change predicted (1.59874e-07%)
- linmin: converged after 4 iterations.
- iteration 303: trace = 2.393039804939095 (1.59872e-07% change)
- linmin: converged after 9 iterations.
- iteration 304: trace = 2.393039797307099 (3.18925e-07% change)
- linmin: converged after 16 iterations.
- iteration 305: trace = 2.393039794197577 (1.2994e-07% change)
- large trace change predicted (5.82893e-07%)
- linmin: converged after 18 iterations.
- iteration 306: trace = 2.393039780248832 (5.82888e-07% change)
- linmin: converged after 2 iterations.
- iteration 307: trace = 2.393039764786827 (6.46124e-07% change)
- linmin: converged after 4 iterations.
- iteration 308: trace = 2.393039750017864 (6.17163e-07% change)
- linmin: converged after 10 iterations.
- iteration 309: trace = 2.393039725756483 (1.01383e-06% change)
- linmin: converged after 22 iterations.
- iteration 310: trace = 2.393039718096837 (3.2008e-07% change)
- linmin: converged after 3 iterations.
- iteration 311: trace = 2.393039706517889 (4.83859e-07% change)
- linmin: converged after 2 iterations.
- iteration 312: trace = 2.393039699042665 (3.12374e-07% change)
- linmin: converged after 4 iterations.
- iteration 313: trace = 2.393039696594512 (1.02303e-07% change)
- large trace change predicted (2.13049e-07%)
- linmin: converged after 3 iterations.
- iteration 314: trace = 2.393039691496138 (2.1305e-07% change)
- linmin: converged after 4 iterations.
- iteration 315: trace = 2.393039689697536 (7.51597e-08% change)
- linmin: converged after 2 iterations.
- iteration 316: trace = 2.393039687681912 (8.42286e-08% change)
- linmin: converged after 2 iterations.
- iteration 317: trace = 2.39303968498274 (1.12793e-07% change)
- linmin: converged after 3 iterations.
- iteration 318: trace = 2.393039683739993 (5.19317e-08% change)
- linmin: converged after 4 iterations.
- iteration 319: trace = 2.393039681923726 (7.58979e-08% change)
- linmin: converged after 4 iterations.
- iteration 320: trace = 2.39303967940794 (1.05129e-07% change)
- linmin: converged after 3 iterations.
- iteration 321: trace = 2.393039677769733 (6.84572e-08% change)
- linmin: converged after 2 iterations.
- iteration 322: trace = 2.393039674736269 (1.26762e-07% change)
- linmin: converged after 3 iterations.
- iteration 323: trace = 2.393039673671995 (4.44737e-08% change)
- linmin: converged after 2 iterations.
- iteration 324: trace = 2.393039671689107 (8.28606e-08% change)
- linmin: converged after 2 iterations.
- iteration 325: trace = 2.393039669297133 (9.99555e-08% change)
- linmin: converged after 4 iterations.
- iteration 326: trace = 2.393039666406318 (1.20801e-07% change)
- large trace change predicted (5.24281e-07%)
- linmin: converged after 3 iterations.
- iteration 327: trace = 2.393039653860141 (5.24278e-07% change)
- linmin: converged after 3 iterations.
- iteration 328: trace = 2.3930396501451 (1.55244e-07% change)
- large trace change predicted (5.14658e-07%)
- linmin: converged after 6 iterations.
- iteration 329: trace = 2.393039637829149 (5.14657e-07% change)
- linmin: converged after 3 iterations.
- iteration 330: trace = 2.393039628784646 (3.7795e-07% change)
- linmin: converged after 3 iterations.
- iteration 331: trace = 2.393039624315906 (1.86739e-07% change)
- linmin: converged after 6 iterations.
- iteration 332: trace = 2.393039617113109 (3.00989e-07% change)
- linmin: converged after 3 iterations.
- iteration 333: trace = 2.393039613074678 (1.68757e-07% change)
- linmin: converged after 4 iterations.
- iteration 334: trace = 2.393039608390692 (1.95734e-07% change)
- linmin: converged after 2 iterations.
- iteration 335: trace = 2.393039604260139 (1.72607e-07% change)
- linmin: converged after 4 iterations.
- iteration 336: trace = 2.393039602837053 (5.94677e-08% change)
- linmin: converged after 2 iterations.
- iteration 337: trace = 2.393039600217194 (1.09478e-07% change)
- linmin: converged after 3 iterations.
- iteration 338: trace = 2.393039599260687 (3.99704e-08% change)
- linmin: converged after 6 iterations.
- iteration 339: trace = 2.393039597648655 (6.73634e-08% change)
- linmin: converged after 4 iterations.
- iteration 340: trace = 2.393039594774919 (1.20087e-07% change)
- linmin: converged after 6 iterations.
- iteration 341: trace = 2.393039593562678 (5.06569e-08% change)
- large trace change predicted (1.431e-07%)
- linmin: converged after 3 iterations.
- iteration 342: trace = 2.393039590138249 (1.431e-07% change)
- linmin: converged after 10 iterations.
- iteration 343: trace = 2.393039588886906 (5.2291e-08% change)
- large trace change predicted (2.05461e-07%)
- linmin: converged after 9 iterations.
- iteration 344: trace = 2.393039583970162 (2.0546e-07% change)
- linmin: converged after 3 iterations.
- iteration 345: trace = 2.39303958056545 (1.42276e-07% change)
- linmin: converged after 12 iterations.
- iteration 346: trace = 2.393039578776684 (7.47487e-08% change)
- large trace change predicted (3.7855e-07%)
- linmin: converged after 6 iterations.
- iteration 347: trace = 2.393039569717871 (3.78548e-07% change)
- linmin: converged after 3 iterations.
- iteration 348: trace = 2.393039561714139 (3.34459e-07% change)
- large trace change predicted (9.27901e-07%)
- linmin: converged after 9 iterations.
- iteration 349: trace = 2.393039539509207 (9.27897e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 350: trace = 2.393039530334008 (3.83412e-07% change)
- linmin: converged after 6 iterations.
- iteration 351: trace = 2.393039524007444 (2.64374e-07% change)
- linmin: converged after 4 iterations.
- iteration 352: trace = 2.393039518614078 (2.25377e-07% change)
- linmin: converged after 2 iterations.
- iteration 353: trace = 2.393039516682342 (8.07231e-08% change)
- linmin: converged after 31 iterations.
- iteration 354: trace = 2.393039515497306 (4.95201e-08% change)
- linmin: converged after 28 iterations.
- iteration 355: trace = 2.393039513467057 (8.48397e-08% change)
- linmin: converged after 3 iterations.
- iteration 356: trace = 2.393039512971261 (2.07183e-08% change)
- large trace change predicted (5.51477e-08%)
- linmin: converged after 26 iterations.
- iteration 357: trace = 2.393039511651555 (5.51477e-08% change)
- linmin: converged after 3 iterations.
- iteration 358: trace = 2.393039510858201 (3.31525e-08% change)
- linmin: converged after 3 iterations.
- iteration 359: trace = 2.393039510361972 (2.07364e-08% change)
- linmin: converged after 2 iterations.
- iteration 360: trace = 2.393039509532697 (3.46536e-08% change)
- linmin: converged after 19 iterations.
- iteration 361: trace = 2.39303950870204 (3.47114e-08% change)
- linmin: converged after 10 iterations.
- iteration 362: trace = 2.393039508083983 (2.58273e-08% change)
- linmin: converged after 2 iterations.
- iteration 363: trace = 2.393039507035475 (4.38149e-08% change)
- linmin: converged after 2 iterations.
- iteration 364: trace = 2.39303950644532 (2.46613e-08% change)
- large trace change predicted (7.14075e-08%)
- linmin: converged after 2 iterations.
- iteration 365: trace = 2.393039504736507 (7.14076e-08% change)
- linmin: converged after 10 iterations.
- iteration 366: trace = 2.393039504078556 (2.74944e-08% change)
- large trace change predicted (6.69719e-08%)
- linmin: converged after 2 iterations.
- iteration 367: trace = 2.393039502475891 (6.6972e-08% change)
- linmin: converged after 30 iterations.
- iteration 368: trace = 2.393039500282299 (9.16655e-08% change)
- linmin: converged after 4 iterations.
- iteration 369: trace = 2.393039498972043 (5.47528e-08% change)
- large trace change predicted (1.45165e-07%)
- linmin: converged after 2 iterations.
- iteration 370: trace = 2.393039495498195 (1.45165e-07% change)
- linmin: converged after 4 iterations.
- iteration 371: trace = 2.393039494758401 (3.09144e-08% change)
- large trace change predicted (1.01346e-07%)
- linmin: converged after 30 iterations.
- iteration 372: trace = 2.393039492333147 (1.01346e-07% change)
- linmin: converged after 4 iterations.
- iteration 373: trace = 2.393039491329326 (4.19475e-08% change)
- linmin: converged after 4 iterations.
- iteration 374: trace = 2.393039490730068 (2.50417e-08% change)
- linmin: converged after 23 iterations.
- iteration 375: trace = 2.393039489641627 (4.54837e-08% change)
- linmin: converged after 17 iterations.
- iteration 376: trace = 2.393039489380868 (1.08966e-08% change)
- large trace change predicted (2.79e-08%)
- linmin: converged after 18 iterations.
- iteration 377: trace = 2.393039488713208 (2.79001e-08% change)
- linmin: converged after 12 iterations.
- iteration 378: trace = 2.393039488473531 (1.00156e-08% change)
- large trace change predicted (2.1849e-08%)
- linmin: converged after 21 iterations.
- iteration 379: trace = 2.393039487950677 (2.1849e-08% change)
- linmin: converged after 2 iterations.
- iteration 380: trace = 2.393039487541194 (1.71114e-08% change)
- linmin: converged after 4 iterations.
- iteration 381: trace = 2.393039487209535 (1.38593e-08% change)
- large trace change predicted (2.79317e-08%)
- linmin: converged after 2 iterations.
- iteration 382: trace = 2.393039486541117 (2.79318e-08% change)
- linmin: converged after 4 iterations.
- iteration 383: trace = 2.393039486304621 (9.88267e-09% change)
- large trace change predicted (3.49113e-08%)
- linmin: converged after 3 iterations.
- iteration 384: trace = 2.39303948546918 (3.49113e-08% change)
- linmin: converged after 14 iterations.
- iteration 385: trace = 2.393039485103423 (1.52842e-08% change)
- linmin: converged after 2 iterations.
- iteration 386: trace = 2.393039484425752 (2.83184e-08% change)
- linmin: converged after 3 iterations.
- iteration 387: trace = 2.393039483733097 (2.89446e-08% change)
- linmin: converged after 3 iterations.
- iteration 388: trace = 2.393039483181924 (2.30324e-08% change)
- large trace change predicted (8.23067e-08%)
- linmin: converged after 4 iterations.
- iteration 389: trace = 2.393039481212295 (8.23066e-08% change)
- linmin: converged after 3 iterations.
- iteration 390: trace = 2.393039480078674 (4.73716e-08% change)
- large trace change predicted (1.55825e-07%)
- linmin: converged after 3 iterations.
- iteration 391: trace = 2.39303947634973 (1.55825e-07% change)
- linmin: converged after 4 iterations.
- iteration 392: trace = 2.393039474223412 (8.88543e-08% change)
- linmin: converged after 6 iterations.
- iteration 393: trace = 2.393039472437169 (7.46433e-08% change)
- linmin: converged after 24 iterations.
- iteration 394: trace = 2.393039471181656 (5.24652e-08% change)
- linmin: converged after 10 iterations.
- iteration 395: trace = 2.393039470786062 (1.6531e-08% change)
- large trace change predicted (3.57493e-08%)
- linmin: converged after 25 iterations.
- iteration 396: trace = 2.393039469930568 (3.57493e-08% change)
- linmin: converged after 4 iterations.
- iteration 397: trace = 2.393039469546422 (1.60527e-08% change)
- linmin: converged after 4 iterations.
- iteration 398: trace = 2.393039469046133 (2.0906e-08% change)
- linmin: converged after 19 iterations.
- iteration 399: trace = 2.393039468798518 (1.03473e-08% change)
- linmin: converged after 4 iterations.
- iteration 400: trace = 2.393039468478962 (1.33536e-08% change)
- linmin: converged after 3 iterations.
- iteration 401: trace = 2.393039468069249 (1.7121e-08% change)
- linmin: converged after 4 iterations.
- iteration 402: trace = 2.393039467854572 (8.9709e-09% change)
- large trace change predicted (5.10206e-08%)
- linmin: converged after 24 iterations.
- iteration 403: trace = 2.393039466633632 (5.10205e-08% change)
- linmin: converged after 4 iterations.
- iteration 404: trace = 2.3930394658094 (3.44429e-08% change)
- linmin: converged after 17 iterations.
- iteration 405: trace = 2.393039464623075 (4.9574e-08% change)
- linmin: converged after 4 iterations.
- iteration 406: trace = 2.393039462972266 (6.89838e-08% change)
- linmin: converged after 4 iterations.
- iteration 407: trace = 2.393039462314115 (2.75027e-08% change)
- large trace change predicted (6.32846e-08%)
- linmin: converged after 2 iterations.
- iteration 408: trace = 2.393039460799692 (6.32845e-08% change)
- linmin: converged after 2 iterations.
- iteration 409: trace = 2.393039459906495 (3.73248e-08% change)
- linmin: converged after 10 iterations.
- iteration 410: trace = 2.393039459215806 (2.88624e-08% change)
- linmin: converged after 3 iterations.
- iteration 411: trace = 2.393039458207819 (4.21216e-08% change)
- linmin: converged after 17 iterations.
- iteration 412: trace = 2.393039457948444 (1.08387e-08% change)
- large trace change predicted (3.21758e-08%)
- linmin: converged after 3 iterations.
- iteration 413: trace = 2.393039457178463 (3.21759e-08% change)
- linmin: converged after 3 iterations.
- iteration 414: trace = 2.393039456890699 (1.2025e-08% change)
- linmin: converged after 4 iterations.
- iteration 415: trace = 2.393039456468653 (1.76364e-08% change)
- linmin: converged after 2 iterations.
- iteration 416: trace = 2.393039455915877 (2.30993e-08% change)
- linmin: converged after 2 iterations.
- iteration 417: trace = 2.393039455793205 (5.12622e-09% change)
- large trace change predicted (2.19269e-08%)
- linmin: converged after 21 iterations.
- iteration 418: trace = 2.393039455268485 (2.19269e-08% change)
- linmin: converged after 27 iterations.
- iteration 419: trace = 2.393039455163028 (4.40686e-09% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 420: trace = 2.393039455081534 (3.40544e-09% change)
- large trace change predicted (1.28231e-08%)
- linmin: converged after 2 iterations.
- iteration 421: trace = 2.393039454774672 (1.28231e-08% change)
- linmin: converged after 4 iterations.
- iteration 422: trace = 2.393039454618046 (6.54506e-09% change)
- large trace change predicted (1.46806e-08%)
- linmin: converged after 3 iterations.
- iteration 423: trace = 2.393039454266736 (1.46805e-08% change)
- linmin: converged after 4 iterations.
- iteration 424: trace = 2.393039453848227 (1.74886e-08% change)
- linmin: converged after 27 iterations.
- iteration 425: trace = 2.393039453604065 (1.0203e-08% change)
- large trace change predicted (2.14839e-08%)
- linmin: converged after 2 iterations.
- iteration 426: trace = 2.393039453089949 (2.14838e-08% change)
- linmin: converged after 4 iterations.
- iteration 427: trace = 2.393039452823184 (1.11475e-08% change)
- linmin: converged after 2 iterations.
- iteration 428: trace = 2.39303945231017 (2.14378e-08% change)
- linmin: converged after 3 iterations.
- iteration 429: trace = 2.393039451925552 (1.60724e-08% change)
- linmin: converged after 23 iterations.
- iteration 430: trace = 2.393039451541071 (1.60666e-08% change)
- linmin: converged after 3 iterations.
- iteration 431: trace = 2.39303945081216 (3.04596e-08% change)
- linmin: converged after 4 iterations.
- iteration 432: trace = 2.393039450415854 (1.65608e-08% change)
- linmin: converged after 2 iterations.
- iteration 433: trace = 2.393039449685276 (3.05293e-08% change)
- linmin: converged after 3 iterations.
- iteration 434: trace = 2.39303944944451 (1.00611e-08% change)
- large trace change predicted (2.67535e-08%)
- linmin: converged after 4 iterations.
- iteration 435: trace = 2.393039448804291 (2.67534e-08% change)
- linmin: converged after 2 iterations.
- iteration 436: trace = 2.393039448613129 (7.98826e-09% change)
- large trace change predicted (2.03646e-08%)
- linmin: converged after 2 iterations.
- iteration 437: trace = 2.393039448125796 (2.03646e-08% change)
- linmin: converged after 3 iterations.
- iteration 438: trace = 2.393039448053937 (3.00285e-09% change)
- large trace change predicted (9.93031e-09%)
- linmin: converged after 2 iterations.
- iteration 439: trace = 2.393039447816299 (9.93036e-09% change)
- linmin: converged after 3 iterations.
- iteration 440: trace = 2.393039447748134 (2.84845e-09% change)
- linmin: converged after 3 iterations.
- iteration 441: trace = 2.393039447623873 (5.19264e-09% change)
- linmin: converged after 3 iterations.
- iteration 442: trace = 2.393039447561049 (2.62526e-09% change)
- large trace change predicted (6.60229e-09%)
- linmin: converged after 2 iterations.
- iteration 443: trace = 2.393039447403053 (6.60231e-09% change)
- linmin: converged after 2 iterations.
- iteration 444: trace = 2.39303944732493 (3.26461e-09% change)
- large trace change predicted (1.01264e-08%)
- linmin: converged after 10 iterations.
- iteration 445: trace = 2.393039447082602 (1.01264e-08% change)
- linmin: converged after 3 iterations.
- iteration 446: trace = 2.393039446943546 (5.81083e-09% change)
- large trace change predicted (1.73585e-08%)
- linmin: converged after 3 iterations.
- iteration 447: trace = 2.393039446528151 (1.73585e-08% change)
- linmin: converged after 8 iterations.
- iteration 448: trace = 2.393039446015525 (2.14215e-08% change)
- linmin: converged after 2 iterations.
- iteration 449: trace = 2.393039445571531 (1.85536e-08% change)
- linmin: converged after 4 iterations.
- iteration 450: trace = 2.393039444758272 (3.39843e-08% change)
- linmin: converged after 29 iterations.
- iteration 451: trace = 2.393039444416251 (1.42923e-08% change)
- linmin: converged after 3 iterations.
- iteration 452: trace = 2.393039443980618 (1.82042e-08% change)
- linmin: converged after 4 iterations.
- iteration 453: trace = 2.393039443780794 (8.35021e-09% change)
- linmin: converged after 2 iterations.
- iteration 454: trace = 2.393039443549136 (9.6805e-09% change)
- linmin: converged after 25 iterations.
- iteration 455: trace = 2.393039443436664 (4.69994e-09% change)
- linmin: converged after 4 iterations.
- iteration 456: trace = 2.393039443270879 (6.92783e-09% change)
- linmin: converged after 6 iterations.
- iteration 457: trace = 2.393039443188931 (3.4244e-09% change)
- linmin: converged after 3 iterations.
- iteration 458: trace = 2.393039443044277 (6.0448e-09% change)
- linmin: converged after 3 iterations.
- iteration 459: trace = 2.39303944298991 (2.27189e-09% change)
- large trace change predicted (8.28366e-09%)
- linmin: converged after 2 iterations.
- iteration 460: trace = 2.393039442791682 (8.28349e-09% change)
- linmin: converged after 14 iterations.
- iteration 461: trace = 2.393039442749653 (1.7563e-09% change)
- large trace change predicted (5.97115e-09%)
- linmin: converged after 3 iterations.
- iteration 462: trace = 2.393039442606761 (5.97117e-09% change)
- linmin: converged after 25 iterations.
- iteration 463: trace = 2.39303944256638 (1.68742e-09% change)
- large trace change predicted (4.09607e-09%)
- linmin: converged after 2 iterations.
- iteration 464: trace = 2.393039442468357 (4.09619e-09% change)
- linmin: converged after 8 iterations.
- iteration 465: trace = 2.393039442419999 (2.02077e-09% change)
- linmin: converged after 15 iterations.
- iteration 466: trace = 2.393039442347808 (3.01671e-09% change)
- linmin: converged after 4 iterations.
- iteration 467: trace = 2.393039442273152 (3.11971e-09% change)
- linmin: converged after 20 iterations.
- iteration 468: trace = 2.393039442142555 (5.45738e-09% change)
- linmin: converged after 3 iterations.
- iteration 469: trace = 2.393039442076984 (2.74006e-09% change)
- large trace change predicted (1.16409e-08%)
- linmin: converged after 2 iterations.
- iteration 470: trace = 2.393039441798411 (1.1641e-08% change)
- linmin: converged after 16 iterations.
- iteration 471: trace = 2.393039441675736 (5.1263e-09% change)
- large trace change predicted (1.43582e-08%)
- linmin: converged after 8 iterations.
- iteration 472: trace = 2.39303944133214 (1.43582e-08% change)
- linmin: converged after 4 iterations.
- iteration 473: trace = 2.393039441097609 (9.80053e-09% change)
- linmin: converged after 3 iterations.
- iteration 474: trace = 2.393039440722298 (1.56835e-08% change)
- linmin: converged after 4 iterations.
- iteration 475: trace = 2.393039440436632 (1.19374e-08% change)
- linmin: converged after 3 iterations.
- iteration 476: trace = 2.393039440165509 (1.13296e-08% change)
- linmin: converged after 19 iterations.
- iteration 477: trace = 2.393039439929586 (9.85873e-09% change)
- linmin: converged after 20 iterations.
- iteration 478: trace = 2.393039439818141 (4.65701e-09% change)
- large trace change predicted (9.52447e-09%)
- linmin: converged after 3 iterations.
- iteration 479: trace = 2.393039439590219 (9.52438e-09% change)
- linmin: converged after 6 iterations.
- iteration 480: trace = 2.393039439529571 (2.53435e-09% change)
- linmin: converged after 4 iterations.
- iteration 481: trace = 2.393039439425098 (4.36574e-09% change)
- linmin: converged after 4 iterations.
- iteration 482: trace = 2.393039439369573 (2.32027e-09% change)
- linmin: converged after 6 iterations.
- iteration 483: trace = 2.393039439287506 (3.4294e-09% change)
- linmin: converged after 3 iterations.
- iteration 484: trace = 2.393039439238953 (2.02893e-09% change)
- linmin: converged after 3 iterations.
- iteration 485: trace = 2.393039439143538 (3.98716e-09% change)
- linmin: converged after 5 iterations.
- iteration 486: trace = 2.393039439105284 (1.59855e-09% change)
- large trace change predicted (4.7465e-09%)
- linmin: converged after 3 iterations.
- iteration 487: trace = 2.393039438991697 (4.74657e-09% change)
- linmin: converged after 3 iterations.
- iteration 488: trace = 2.393039438928778 (2.62927e-09% change)
- linmin: converged after 3 iterations.
- iteration 489: trace = 2.393039438831347 (4.07143e-09% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 490: trace = 2.393039438770665 (2.53574e-09% change)
- linmin: converged after 2 iterations.
- iteration 491: trace = 2.393039438727107 (1.82022e-09% change)
- linmin: converged after 12 iterations.
- iteration 492: trace = 2.393039438645211 (3.42227e-09% change)
- linmin: converged after 4 iterations.
- iteration 493: trace = 2.393039438608041 (1.55325e-09% change)
- large trace change predicted (4.01501e-09%)
- linmin: converged after 2 iterations.
- iteration 494: trace = 2.39303943851196 (4.015e-09% change)
- linmin: converged after 4 iterations.
- iteration 495: trace = 2.393039438391947 (5.0151e-09% change)
- linmin: converged after 8 iterations.
- iteration 496: trace = 2.393039438354112 (1.58105e-09% change)
- large trace change predicted (5.35413e-09%)
- linmin: converged after 3 iterations.
- iteration 497: trace = 2.393039438225987 (5.35409e-09% change)
- linmin: converged after 15 iterations.
- iteration 498: trace = 2.393039438141694 (3.52239e-09% change)
- linmin: converged after 13 iterations.
- iteration 499: trace = 2.393039438094008 (1.99271e-09% change)
- large trace change predicted (4.68971e-09%)
- linmin: converged after 4 iterations.
- iteration 500: trace = 2.393039437981779 (4.68981e-09% change)
- linmin: converged after 19 iterations.
- iteration 501: trace = 2.393039437940803 (1.7123e-09% change)
- large trace change predicted (8.68295e-09%)
- linmin: converged after 4 iterations.
- iteration 502: trace = 2.393039437733017 (8.68294e-09% change)
- linmin: converged after 18 iterations.
- iteration 503: trace = 2.393039437666702 (2.77116e-09% change)
- large trace change predicted (1.17784e-08%)
- linmin: converged after 4 iterations.
- iteration 504: trace = 2.393039437384841 (1.17784e-08% change)
- linmin: converged after 4 iterations.
- iteration 505: trace = 2.393039437295321 (3.74083e-09% change)
- large trace change predicted (1.00383e-08%)
- linmin: converged after 2 iterations.
- iteration 506: trace = 2.3930394370551 (1.00383e-08% change)
- linmin: converged after 21 iterations.
- iteration 507: trace = 2.393039436967758 (3.6498e-09% change)
- linmin: converged after 4 iterations.
- iteration 508: trace = 2.393039436834583 (5.56511e-09% change)
- linmin: converged after 3 iterations.
- iteration 509: trace = 2.393039436771053 (2.6548e-09% change)
- linmin: converged after 12 iterations.
- iteration 510: trace = 2.393039436692701 (3.27416e-09% change)
- linmin: converged after 3 iterations.
- iteration 511: trace = 2.393039436663756 (1.20954e-09% change)
- linmin: converged after 6 iterations.
- iteration 512: trace = 2.393039436628705 (1.46471e-09% change)
- linmin: converged after 4 iterations.
- iteration 513: trace = 2.393039436596319 (1.35331e-09% change)
- linmin: converged after 8 iterations.
- iteration 514: trace = 2.393039436574894 (8.95308e-10% change)
- large trace change predicted (2.31083e-09%)
- linmin: converged after 8 iterations.
- iteration 515: trace = 2.393039436519594 (2.31088e-09% change)
- linmin: converged after 3 iterations.
- iteration 516: trace = 2.39303943649859 (8.77734e-10% change)
- large trace change predicted (3.82906e-09%)
- linmin: converged after 3 iterations.
- iteration 517: trace = 2.39303943640696 (3.82901e-09% change)
- linmin: converged after 2 iterations.
- iteration 518: trace = 2.39303943636861 (1.60255e-09% change)
- linmin: converged after 11 iterations.
- iteration 519: trace = 2.393039436322549 (1.92481e-09% change)
- linmin: converged after 2 iterations.
- iteration 520: trace = 2.393039436271038 (2.15251e-09% change)
- linmin: converged after 3 iterations.
- iteration 521: trace = 2.393039436244692 (1.10094e-09% change)
- large trace change predicted (3.17061e-09%)
- linmin: converged after 3 iterations.
- iteration 522: trace = 2.393039436168818 (3.17061e-09% change)
- linmin: converged after 4 iterations.
- iteration 523: trace = 2.393039436097631 (2.97477e-09% change)
- linmin: converged after 4 iterations.
- iteration 524: trace = 2.393039435995211 (4.27989e-09% change)
- linmin: converged after 4 iterations.
- iteration 525: trace = 2.393039435818145 (7.39921e-09% change)
- linmin: converged after 3 iterations.
- iteration 526: trace = 2.393039435723086 (3.97233e-09% change)
- linmin: converged after 19 iterations.
- iteration 527: trace = 2.393039435536705 (7.78847e-09% change)
- linmin: converged after 6 iterations.
- iteration 528: trace = 2.393039435449276 (3.65346e-09% change)
- linmin: converged after 6 iterations.
- iteration 529: trace = 2.393039435338912 (4.61188e-09% change)
- linmin: converged after 2 iterations.
- iteration 530: trace = 2.393039435244189 (3.95829e-09% change)
- linmin: converged after 4 iterations.
- iteration 531: trace = 2.393039435199449 (1.86956e-09% change)
- linmin: converged after 2 iterations.
- iteration 532: trace = 2.393039435130634 (2.87564e-09% change)
- linmin: converged after 14 iterations.
- iteration 533: trace = 2.393039435113299 (7.24394e-10% change)
- linmin: converged after 3 iterations.
- iteration 534: trace = 2.393039435083929 (1.22732e-09% change)
- linmin: converged after 3 iterations.
- iteration 535: trace = 2.393039435061976 (9.17355e-10% change)
- linmin: converged after 3 iterations.
- iteration 536: trace = 2.393039435043413 (7.75705e-10% change)
- large trace change predicted (2.37715e-09%)
- linmin: converged after 3 iterations.
- iteration 537: trace = 2.393039434986528 (2.37709e-09% change)
- linmin: converged after 5 iterations.
- iteration 538: trace = 2.393039434959441 (1.13194e-09% change)
- large trace change predicted (4.77728e-09%)
- linmin: converged after 4 iterations.
- iteration 539: trace = 2.393039434845119 (4.77725e-09% change)
- linmin: converged after 3 iterations.
- iteration 540: trace = 2.393039434792144 (2.21371e-09% change)
- large trace change predicted (4.44573e-09%)
- linmin: converged after 4 iterations.
- iteration 541: trace = 2.393039434685755 (4.44579e-09% change)
- linmin: converged after 4 iterations.
- iteration 542: trace = 2.393039434547814 (5.76427e-09% change)
- linmin: converged after 27 iterations.
- iteration 543: trace = 2.393039434463725 (3.51387e-09% change)
- linmin: converged after 2 iterations.
- iteration 544: trace = 2.393039434327819 (5.67926e-09% change)
- linmin: converged after 2 iterations.
- iteration 545: trace = 2.393039434297494 (1.26718e-09% change)
- large trace change predicted (4.76578e-09%)
- linmin: converged after 2 iterations.
- iteration 546: trace = 2.393039434183446 (4.76584e-09% change)
- linmin: converged after 4 iterations.
- iteration 547: trace = 2.393039434155507 (1.16753e-09% change)
- linmin: converged after 3 iterations.
- iteration 548: trace = 2.393039434110598 (1.87663e-09% change)
- linmin: converged after 3 iterations.
- iteration 549: trace = 2.39303943405266 (2.42111e-09% change)
- linmin: converged after 7 iterations.
- iteration 550: trace = 2.393039434021908 (1.28505e-09% change)
- large trace change predicted (2.72009e-09%)
- linmin: converged after 3 iterations.
- iteration 551: trace = 2.393039433956814 (2.72016e-09% change)
- linmin: converged after 13 iterations.
- iteration 552: trace = 2.39303943394262 (5.93117e-10% change)
- large trace change predicted (1.4614e-09%)
- linmin: converged after 6 iterations.
- iteration 553: trace = 2.39303943390765 (1.46133e-09% change)
- linmin: converged after 4 iterations.
- iteration 554: trace = 2.393039433887136 (8.57228e-10% change)
- linmin: converged after 4 iterations.
- iteration 555: trace = 2.393039433871071 (6.71338e-10% change)
- large trace change predicted (2.49889e-09%)
- linmin: converged after 15 iterations.
- iteration 556: trace = 2.393039433811273 (2.49881e-09% change)
- linmin: converged after 5 iterations.
- iteration 557: trace = 2.39303943377127 (1.67163e-09% change)
- large trace change predicted (3.87363e-09%)
- linmin: converged after 3 iterations.
- iteration 558: trace = 2.393039433678571 (3.87372e-09% change)
- linmin: converged after 12 iterations.
- iteration 559: trace = 2.393039433633079 (1.90102e-09% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 560: trace = 2.393039433591982 (1.71733e-09% change)
- linmin: converged after 4 iterations.
- iteration 561: trace = 2.393039433535898 (2.34363e-09% change)
- linmin: converged after 10 iterations.
- iteration 562: trace = 2.393039433476222 (2.49374e-09% change)
- linmin: converged after 3 iterations.
- iteration 563: trace = 2.393039433456065 (8.42308e-10% change)
- linmin: converged after 4 iterations.
- iteration 564: trace = 2.393039433422571 (1.39967e-09% change)
- linmin: converged after 2 iterations.
- iteration 565: trace = 2.393039433403372 (8.02261e-10% change)
- linmin: converged after 20 iterations.
- iteration 566: trace = 2.393039433378293 (1.048e-09% change)
- linmin: converged after 4 iterations.
- iteration 567: trace = 2.393039433347348 (1.29313e-09% change)
- linmin: converged after 3 iterations.
- iteration 568: trace = 2.39303943333379 (5.66562e-10% change)
- large trace change predicted (1.65308e-09%)
- linmin: converged after 3 iterations.
- iteration 569: trace = 2.393039433294231 (1.65311e-09% change)
- linmin: converged after 2 iterations.
- iteration 570: trace = 2.393039433267218 (1.1288e-09% change)
- linmin: converged after 4 iterations.
- iteration 571: trace = 2.393039433251191 (6.69723e-10% change)
- large trace change predicted (2.59613e-09%)
- linmin: converged after 6 iterations.
- iteration 572: trace = 2.393039433189065 (2.59613e-09% change)
- linmin: converged after 10 iterations.
- iteration 573: trace = 2.393039433169208 (8.29763e-10% change)
- large trace change predicted (3.32246e-09%)
- linmin: converged after 11 iterations.
- iteration 574: trace = 2.3930394330897 (3.32247e-09% change)
- linmin: converged after 11 iterations.
- iteration 575: trace = 2.393039433039307 (2.10582e-09% change)
- linmin: converged after 3 iterations.
- iteration 576: trace = 2.393039433008009 (1.30788e-09% change)
- linmin: converged after 3 iterations.
- iteration 577: trace = 2.393039432966736 (1.72474e-09% change)
- linmin: converged after 2 iterations.
- iteration 578: trace = 2.393039432937859 (1.2067e-09% change)
- large trace change predicted (2.95829e-09%)
- linmin: converged after 2 iterations.
- iteration 579: trace = 2.393039432867064 (2.95837e-09% change)
- linmin: converged after 3 iterations.
- iteration 580: trace = 2.393039432836827 (1.26355e-09% change)
- linmin: converged after 2 iterations.
- iteration 581: trace = 2.393039432817371 (8.13006e-10% change)
- linmin: converged after 6 iterations.
- iteration 582: trace = 2.393039432800204 (7.1736e-10% change)
- linmin: converged after 13 iterations.
- iteration 583: trace = 2.393039432793716 (2.71126e-10% change)
- large trace change predicted (5.44685e-10%)
- linmin: converged after 2 iterations.
- iteration 584: trace = 2.393039432780685 (5.44571e-10% change)
- linmin: converged after 9 iterations.
- iteration 585: trace = 2.393039432773195 (3.12973e-10% change)
- linmin: converged after 3 iterations.
- iteration 586: trace = 2.393039432762138 (4.62064e-10% change)
- linmin: converged after 2 iterations.
- iteration 587: trace = 2.393039432742628 (8.15251e-10% change)
- linmin: converged after 2 iterations.
- iteration 588: trace = 2.393039432734777 (3.28097e-10% change)
- large trace change predicted (1.41391e-09%)
- linmin: converged after 6 iterations.
- iteration 589: trace = 2.393039432700941 (1.41392e-09% change)
- linmin: converged after 4 iterations.
- iteration 590: trace = 2.393039432674914 (1.08764e-09% change)
- linmin: converged after 4 iterations.
- iteration 591: trace = 2.39303943265161 (9.73788e-10% change)
- linmin: converged after 4 iterations.
- iteration 592: trace = 2.393039432614045 (1.5698e-09% change)
- linmin: converged after 4 iterations.
- iteration 593: trace = 2.393039432599276 (6.17131e-10% change)
- large trace change predicted (1.75499e-09%)
- linmin: converged after 9 iterations.
- iteration 594: trace = 2.393039432557276 (1.75512e-09% change)
- linmin: converged after 6 iterations.
- iteration 595: trace = 2.393039432545948 (4.73366e-10% change)
- large trace change predicted (1.15899e-09%)
- linmin: converged after 5 iterations.
- iteration 596: trace = 2.39303943251821 (1.15912e-09% change)
- linmin: converged after 2 iterations.
- iteration 597: trace = 2.393039432491335 (1.12303e-09% change)
- linmin: converged after 4 iterations.
- iteration 598: trace = 2.393039432480397 (4.57091e-10% change)
- large trace change predicted (1.52391e-09%)
- linmin: converged after 3 iterations.
- iteration 599: trace = 2.393039432443929 (1.52389e-09% change)
- linmin: converged after 13 iterations.
- iteration 600: trace = 2.393039432430085 (5.7855e-10% change)
- linmin: converged after 4 iterations.
- iteration 601: trace = 2.393039432414344 (6.57753e-10% change)
- linmin: converged after 3 iterations.
- iteration 602: trace = 2.393039432405177 (3.83065e-10% change)
- linmin: converged after 7 iterations.
- iteration 603: trace = 2.393039432401144 (1.6854e-10% change)
- linmin: converged after 10 iterations.
- iteration 604: trace = 2.393039432394298 (2.86083e-10% change)
- linmin: converged after 11 iterations.
- iteration 605: trace = 2.393039432388366 (2.47892e-10% change)
- linmin: converged after 2 iterations.
- iteration 606: trace = 2.393039432383648 (1.97155e-10% change)
- large trace change predicted (4.78428e-10%)
- linmin: converged after 6 iterations.
- iteration 607: trace = 2.393039432372197 (4.78525e-10% change)
- linmin: converged after 3 iterations.
- iteration 608: trace = 2.39303943236669 (2.30095e-10% change)
- large trace change predicted (5.68749e-10%)
- linmin: converged after 9 iterations.
- iteration 609: trace = 2.393039432353077 (5.68881e-10% change)
- large trace change predicted (1.18412e-09%)
- linmin: converged after 3 iterations.
- iteration 610: trace = 2.393039432324741 (1.18408e-09% change)
- linmin: converged after 4 iterations.
- iteration 611: trace = 2.393039432312935 (4.93371e-10% change)
- large trace change predicted (1.76798e-09%)
- linmin: converged after 4 iterations.
- iteration 612: trace = 2.393039432270628 (1.76792e-09% change)
- linmin: converged after 5 iterations.
- iteration 613: trace = 2.393039432244956 (1.07276e-09% change)
- linmin: converged after 2 iterations.
- iteration 614: trace = 2.393039432203985 (1.7121e-09% change)
- linmin: converged after 3 iterations.
- iteration 615: trace = 2.39303943218117 (9.53375e-10% change)
- linmin: converged after 3 iterations.
- iteration 616: trace = 2.393039432169938 (4.69376e-10% change)
- linmin: converged after 3 iterations.
- iteration 617: trace = 2.393039432158995 (4.57276e-10% change)
- linmin: converged after 10 iterations.
- iteration 618: trace = 2.393039432154797 (1.75443e-10% change)
- linmin: converged after 5 iterations.
- iteration 619: trace = 2.393039432148036 (2.8252e-10% change)
- linmin: converged after 4 iterations.
- iteration 620: trace = 2.393039432136146 (4.96841e-10% change)
- linmin: converged after 4 iterations.
- iteration 621: trace = 2.39303943213301 (1.31053e-10% change)
- large trace change predicted (5.35513e-10%)
- linmin: converged after 3 iterations.
- iteration 622: trace = 2.393039432120193 (5.35589e-10% change)
- linmin: converged after 4 iterations.
- iteration 623: trace = 2.393039432113679 (2.72239e-10% change)
- linmin: converged after 8 iterations.
- iteration 624: trace = 2.393039432106066 (3.18095e-10% change)
- linmin: converged after 5 iterations.
- iteration 625: trace = 2.393039432098135 (3.31456e-10% change)
- linmin: converged after 11 iterations.
- iteration 626: trace = 2.393039432094206 (1.6416e-10% change)
- large trace change predicted (1.14851e-09%)
- linmin: converged after 2 iterations.
- iteration 627: trace = 2.393039432066721 (1.14856e-09% change)
- linmin: converged after 4 iterations.
- iteration 628: trace = 2.393039432054615 (5.0586e-10% change)
- large trace change predicted (1.49987e-09%)
- linmin: converged after 2 iterations.
- iteration 629: trace = 2.393039432018724 (1.49982e-09% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 630: trace = 2.393039431999159 (8.17552e-10% change)
- linmin: converged after 4 iterations.
- iteration 631: trace = 2.393039431990648 (3.55692e-10% change)
- large trace change predicted (9.79319e-10%)
- linmin: converged after 4 iterations.
- iteration 632: trace = 2.393039431967213 (9.79281e-10% change)
- linmin: converged after 4 iterations.
- iteration 633: trace = 2.393039431960509 (2.80126e-10% change)
- linmin: converged after 3 iterations.
- iteration 634: trace = 2.393039431950895 (4.01752e-10% change)
- linmin: converged after 3 iterations.
- iteration 635: trace = 2.393039431943192 (3.21918e-10% change)
- linmin: converged after 3 iterations.
- iteration 636: trace = 2.393039431940059 (1.30923e-10% change)
- large trace change predicted (2.92515e-10%)
- linmin: converged after 3 iterations.
- iteration 637: trace = 2.39303943193306 (2.92448e-10% change)
- linmin: converged after 6 iterations.
- iteration 638: trace = 2.393039431927997 (2.11574e-10% change)
- linmin: converged after 6 iterations.
- iteration 639: trace = 2.39303943192271 (2.20927e-10% change)
- linmin: converged after 4 iterations.
- iteration 640: trace = 2.393039431914639 (3.37283e-10% change)
- linmin: converged after 4 iterations.
- iteration 641: trace = 2.393039431913088 (6.48029e-11% change)
-Finished solving for bands 2 to 10 after 641 iterations.
-tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016
-.elapsed time for k point: 4.707355737686157
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263339956 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.2658849785678317 at Vector3<0.0, 0.0, 0.0> to 0.3546302405484167 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0>
-Band 3 range: 0.35621423559129134 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517839886 at Vector3<0.5, 0.0, 0.0>
-Band 4 range: 0.36899013666801306 at Vector3<0.0, 0.0, 0.0> to 0.48074846784433395 at Vector3<0.5, 0.5, 0.0>
-Band 5 range: 0.4779014824358745 at Vector3<0.5, 0.0, 0.0> to 0.5073352894296067 at Vector3<0.5, 0.5, 0.0>
-Band 6 range: 0.5065518587497806 at Vector3<0.0, 0.0, 0.0> to 0.5125343692392687 at Vector3<0.5, 0.5, 0.0>
-Band 7 range: 0.5090758744004433 at Vector3<0.5, 0.0, 0.0> to 0.6079200818300042 at Vector3<0.5, 0.5, 0.0>
-Band 8 range: 0.6150518764785363 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.63568078470799 at Vector3<0.0, 0.0, 0.0>
-Band 9 range: 0.6397097609337264 at Vector3<0.5, 0.0, 0.0> to 0.6489078359746278 at Vector3<0.5, 0.5, 0.0>
-Band 10 range: 0.6468898907439936 at Vector3<0.5, 0.0, 0.0> to 0.6600163340857906 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.2156485263339956) to band 2 (0.2658849785678317), 20.86519493345664%
-Gap from band 2 (0.3546302405484167) to band 3 (0.35621423559129134), 0.4456657105859925%
-Gap from band 3 (0.36527833517839886) to band 4 (0.36899013666801306), 1.0110202553789074%
-Gap from band 7 (0.6079200818300042) to band 8 (0.6150518764785363), 1.1663055068565722%
-Gap from band 8 (0.63568078470799) to band 9 (0.6397097609337264), 0.6318027430114279%
-total elapsed time for run: 89.24830174446106
-done
-/tmp/meepg15Lzl/test_hermitian_eps-0: 89.25s
-
-/tmp/meepg15Lzl/test_hole_slab-0
-========================
-Initializing eigensolver data
-Computing 9 bands with 1e-12 tolerance
-Working in 3 dimensions.
-Grid size is 32 x 32 x 64.
-Solving for 9 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (0.866025, 0.5, 0)
- (0.866025, -0.5, 0)
- (0, 0, 4)
-Cell volume = 3.4641
-Reciprocal lattice vectors (/ 2 pi):
- (0.57735, 1, -0)
- (0.57735, -1, 0)
- (-0, 0, 0.25)
-Geometric objects:
- block, center = (0,0,1)
- size (1e+20,1e+20,2)
- axes (1,0,0), (0,1,0), (0,0,1)
- block, center = (0,0,0)
- size (1e+20,1e+20,0.5)
- axes (1,0,0), (0,1,0), (0,0,1)
- cylinder, center = (0,0,0)
- radius 0.3, height 4, axis (0, 0, 1)
-Geometric object tree has depth 3 and 41 object nodes (vs. 3 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: zeven.
-Initializing fields to random numbers...
-1 k-points
- Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-elapsed time for initialization: 0.1071019172668457
-solve_kpoint (-0.333333,0.333333,0):
-zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9
-Solving for bands 1 to 9...
- near maximum in trace
- linmin: converged after 9 iterations.
- iteration 1: trace = 20.14068801126488 (196.16% change)
- linmin: converged after 13 iterations.
- iteration 2: trace = 3.299137341812085 (143.7% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 2.669410204363155 (21.1015% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 2.40241249385957 (10.5287% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.282088343951399 (5.13712% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.228076475135598 (2.39512% change)
- linmin: converged after 7 iterations.
- iteration 7: trace = 2.207088432445513 (0.946438% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.197424295920371 (0.438829% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.193156579988943 (0.194403% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 2.19061263941641 (0.116062% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 2.189324950475648 (0.0587994% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.188582973206251 (0.0338964% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.188220751661914 (0.0165519% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 2.188067093603424 (0.0070223% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 2.188000083848798 (0.00306256% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 2.187974779563759 (0.00115651% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 2.187966030722257 (0.000399861% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 2.187961616111335 (0.000201768% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 2.187959777341824 (8.40403e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 2.187958886064244 (4.07356e-05% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 2.187958549134365 (1.53993e-05% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 2.187958302488668 (1.12729e-05% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 2.187958133390967 (7.72856e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 2.187958074545629 (2.68951e-06% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 2.187958069786985 (2.17492e-07% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 2.187958069734506 (2.39855e-09% change)
- linmin: converged after 7 iterations.
- iteration 27: trace = 2.187958069720248 (6.51655e-10% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 2.187958069713324 (3.1647e-10% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 2.18795806970928 (1.84804e-10% change)
- linmin: converged after 14 iterations.
- iteration 30: trace = 2.187958069706368 (1.33087e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 2.187958069704355 (9.20265e-11% change)
-Finished solving for bands 1 to 9 after 31 iterations.
-zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253
-elapsed time for k point: 16.854070901870728
-total elapsed time for run: 16.96126699447632
-done
-Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913
-FOutputting fields to /tmp/meepg15Lzl/test_hole_slab-0-h.k01.b09.z.zeven.h5...
-eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0
-mean flops per iteration = 232048195.5483871
-mean time per iteration = 0.547137644983107 s
-/tmp/meepg15Lzl/test_hole_slab-0: 16.99s
-
-/tmp/meepg15Lzl/test_honey_rods-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (0.866025, 0.5, 0)
- (0.866025, -0.5, 0)
- (0, 0, 1)
-Cell volume = 0.866025
-Reciprocal lattice vectors (/ 2 pi):
- (0.57735, 1, -0)
- (0.57735, -1, 0)
- (-0, 0, 1)
-Geometric objects:
- cylinder, center = (0.166667,0.166667,0)
- radius 0.14, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-0.166667,-0.166667,0)
- radius 0.14, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.0, 0.1, 0.0>
- Vector3<0.0, 0.2, 0.0>
- Vector3<0.0, 0.30000000000000004, 0.0>
- Vector3<0.0, 0.4, 0.0>
- Vector3<0.0, 0.5, 0.0>
- Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
- Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
- Vector3<-0.2, 0.39999999999999997, 0.0>
- Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
- Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
- Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
- Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
- Vector3<-0.1333333333333333, 0.1333333333333333, 0.0>
- Vector3<-0.06666666666666665, 0.06666666666666665, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0015070438385009766
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 9 iterations.
- iteration 1: trace = 14.08603322828974 (195.946% change)
- linmin: converged after 8 iterations.
- iteration 2: trace = 4.946841082550758 (96.0359% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 4.482417469982445 (9.85069% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.426179454909694 (1.26256% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.404732774789124 (0.485718% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.393592673653451 (0.253232% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.388048069558351 (0.126277% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.386014285277234 (0.046359% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.385327350069832 (0.0156632% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.385030799696019 (0.00676256% change)
- linmin: converged after 9 iterations.
- iteration 11: trace = 4.384928986166413 (0.00232187% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.384903198779061 (0.000588093% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.384897579818996 (0.000128143% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.384896578810423 (2.28286e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.384896296355217 (6.44155e-06% change)
- linmin: converged after 17 iterations.
- iteration 16: trace = 4.384896163448913 (3.031e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 4.384896108996883 (1.24181e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.384896055181308 (1.22729e-06% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 4.384895970966356 (1.92057e-06% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 4.384895907261345 (1.45283e-06% change)
- large trace change predicted (4.57064e-06%)
- linmin: converged after 6 iterations.
- iteration 21: trace = 4.3848957068431 (4.57065e-06% change)
- large trace change predicted (5.41039e-05%)
- linmin: converged after 4 iterations.
- iteration 22: trace = 4.384893338182164 (5.40187e-05% change)
- large trace change predicted (0.000283054%)
- linmin: converged after 9 iterations.
- iteration 23: trace = 4.384881228353985 (0.000276172% change)
- linmin: converged after 9 iterations.
- iteration 24: trace = 4.384874398294823 (0.000155764% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 4.384872500513711 (4.32802e-05% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 4.384871395471816 (2.52012e-05% change)
- linmin: converged after 9 iterations.
- iteration 27: trace = 4.384870693946444 (1.59988e-05% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 4.384870461991072 (5.2899e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 4.384870388776773 (1.6697e-06% change)
- linmin: converged after 8 iterations.
- iteration 30: trace = 4.384870368925833 (4.52714e-07% change)
- linmin: converged after 10 iterations.
- iteration 31: trace = 4.384870362403318 (1.4875e-07% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 4.384870359727655 (6.10204e-08% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 4.384870359219449 (1.159e-08% change)
- linmin: converged after 18 iterations.
- iteration 34: trace = 4.384870359145734 (1.68113e-09% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 4.384870359129951 (3.59941e-10% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 4.384870359120915 (2.0608e-10% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 4.38487035911561 (1.20966e-10% change)
- linmin: converged after 6 iterations.
- iteration 38: trace = 4.384870359114471 (2.59878e-11% change)
-Finished solving for bands 2 to 8 after 38 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928
-elapsed time for k point: 0.1041574478149414
-solve_kpoint (0,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.398721940930018 (0.785796% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.393117316903974 (0.127496% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.389343308629444 (0.0859442% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 4.386788236161571 (0.0582278% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.383878568871475 (0.06635% change)
- large trace change predicted (0.244095%)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.374047466163459 (0.224508% change)
- linmin: converged after 8 iterations.
- iteration 7: trace = 4.368118485130831 (0.135641% change)
- linmin: converged after 7 iterations.
- iteration 8: trace = 4.366002618092194 (0.0484506% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.36474279607383 (0.0288594% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.364161250576655 (0.0133246% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.363987460053582 (0.0039823% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.363951770436642 (0.000817825% change)
- linmin: converged after 8 iterations.
- iteration 13: trace = 4.363938583509695 (0.000302179% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 4.363930081725975 (0.000194819% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.363920378371304 (0.000222354% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 4.363910621596412 (0.000223578% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 4.363903924428309 (0.000153467% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 4.363900915380417 (6.89531e-05% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 4.363900331095293 (1.33891e-05% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 4.363900186219114 (3.31988e-06% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.363900088964026 (2.22863e-06% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.363900060699542 (6.47689e-07% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 4.36390005530451 (1.23629e-07% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 4.363900051912937 (7.77188e-08% change)
- linmin: converged after 22 iterations.
- iteration 25: trace = 4.363900047515015 (1.0078e-07% change)
- linmin: converged after 10 iterations.
- iteration 26: trace = 4.363900042904682 (1.05647e-07% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 4.36390004038918 (5.76434e-08% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 4.36390003927038 (2.56376e-08% change)
- linmin: converged after 9 iterations.
- iteration 29: trace = 4.363900038955538 (7.21468e-09% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 4.363900038873569 (1.87834e-09% change)
- linmin: converged after 26 iterations.
- iteration 31: trace = 4.363900038847108 (6.06373e-10% change)
- linmin: converged after 19 iterations.
- iteration 32: trace = 4.363900038835858 (2.57789e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 4.36390003883082 (1.15462e-10% change)
- linmin: converged after 6 iterations.
- iteration 34: trace = 4.363900038828961 (4.25985e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362
-elapsed time for k point: 0.11303400993347168
-solve_kpoint (0,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.337244337609678 (0.916306% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.328998104322993 (0.190307% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.32639370164097 (0.0601799% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.326044500292335 (0.00807174% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.326009019266948 (0.000820176% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.325999490809005 (0.00022026% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 4.325995296299609 (9.69605e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.325994594651871 (1.62193e-05% change)
- linmin: converged after 21 iterations.
- iteration 9: trace = 4.325994488077121 (2.46359e-06% change)
- linmin: converged after 15 iterations.
- iteration 10: trace = 4.325994468151046 (4.60613e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.325994462562192 (1.29192e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.325994459723793 (6.56126e-08% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.32599445837473 (3.1185e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.325994457749017 (1.4464e-08% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.325994457604776 (3.33429e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.325994457594259 (2.4311e-10% change)
- linmin: converged after 15 iterations.
- iteration 17: trace = 4.325994457593159 (2.54382e-11% change)
-Finished solving for bands 1 to 8 after 17 iterations.
-tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829
-elapsed time for k point: 0.057578086853027344
-solve_kpoint (0,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.306001070929652 (0.788082% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.300360847934489 (0.131071% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.298518538322207 (0.04285% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.298157359198859 (0.00840276% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.29810142377206 (0.00130139% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.298085059916545 (0.000380724% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.298081361323795 (8.60521e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.298081030130989 (7.7056e-06% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.298080990199845 (9.29046e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.298080980492031 (2.25864e-07% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.298080977563763 (6.81297e-08% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.298080976767695 (1.85215e-08% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.298080976493845 (6.37143e-09% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.298080976439338 (1.26818e-09% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.298080976434354 (1.15949e-10% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 4.298080976434065 (6.73664e-12% change)
-Finished solving for bands 1 to 8 after 16 iterations.
-tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016
-elapsed time for k point: 0.054178714752197266
-solve_kpoint (0,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.295193771997795 (0.757652% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.289005422997731 (0.14418% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.286655525617624 (0.0548039% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.286149536707246 (0.0118045% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.286096391657205 (0.00123993% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 4.286089079043695 (0.000170613% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.286087354619918 (4.0233e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.286087144657689 (4.89869e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.286087124718897 (4.65198e-07% change)
- linmin: converged after 13 iterations.
- iteration 10: trace = 4.286087122345822 (5.53669e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.286087121648089 (1.6279e-08% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.286087121456529 (4.46936e-09% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.286087121427353 (6.80709e-10% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.286087121422131 (1.21827e-10% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 4.286087121421341 (1.84429e-11% change)
-Finished solving for bands 1 to 8 after 15 iterations.
-tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067
-elapsed time for k point: 0.05121159553527832
-solve_kpoint (0,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.295769793792948 (0.789547% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.28778519878741 (0.186044% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.284595510942272 (0.0744178% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.28394415962977 (0.0152033% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.283890904445597 (0.00124314% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.283887176226487 (8.70288e-05% change)
- linmin: converged after 18 iterations.
- iteration 7: trace = 4.283886858681741 (7.41254e-06% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.283886826915921 (7.41519e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.28388682147316 (1.27052e-07% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.283886820456615 (2.37295e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.283886820322503 (3.1306e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.283886820305652 (3.93367e-10% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.283886820302828 (6.59102e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404
-elapsed time for k point: 0.04459786415100098
-solve_kpoint (-0.0666667,0.466667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.289328030396198 (0.255282% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.28802476019065 (0.0303886% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.287906729392985 (0.00275261% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 4.28789198256394 (0.000343917% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.287890045876974 (4.51664e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.287889552037952 (1.15171e-05% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.287889502750222 (1.14946e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.28788950034711 (5.60442e-08% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.287889500025852 (7.49223e-09% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.287889499903877 (2.84463e-09% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.287889499875894 (6.52604e-10% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 4.287889499871681 (9.82656e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612
-elapsed time for k point: 0.04138588905334473
-solve_kpoint (-0.133333,0.433333,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.30135680349205 (0.254655% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.300043563537508 (0.0305355% change)
- linmin: converged after 14 iterations.
- iteration 3: trace = 4.299922855277374 (0.00280718% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.299907791777737 (0.000350321% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.299905439718406 (5.47002e-05% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.299904830345856 (1.41718e-05% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.299904776860712 (1.24387e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.29990477259056 (9.93081e-08% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.299904771447066 (2.65935e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.299904771054305 (9.13419e-09% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.299904770962037 (2.1458e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.29990477094445 (4.09005e-10% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.299904770939916 (1.05448e-10% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.29990477093923 (1.59463e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226
-elapsed time for k point: 0.047953128814697266
-solve_kpoint (-0.2,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.321382841090537 (0.254327% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.320030166755696 (0.0313068% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.319900410607536 (0.00300364% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.319883445006697 (0.000392732% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.319880164551647 (7.59385e-05% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 4.319879323285329 (1.94743e-05% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.319879250560541 (1.68349e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.319879235729276 (3.43326e-07% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 4.319879227958102 (1.79893e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.319879225421853 (5.87111e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.319879224813201 (1.40896e-08% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.319879224663673 (3.4614e-09% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 4.31987922462695 (8.50085e-10% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.319879224622897 (9.3837e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721
-elapsed time for k point: 0.0477447509765625
-solve_kpoint (-0.266667,0.366667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.349129535370816 (0.255944% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.347666951089962 (0.033635% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.347512401085769 (0.00355484% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.347489679971983 (0.000522625% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.347484415105871 (0.000121101% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.347482964576337 (3.33648e-05% change)
- linmin: converged after 18 iterations.
- iteration 7: trace = 4.347482711409491 (5.8233e-06% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.347482493192526 (5.01939e-06% change)
- linmin: converged after 12 iterations.
- iteration 9: trace = 4.347482344420546 (3.42203e-06% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.347482298963948 (1.04558e-06% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.347482289718709 (2.12657e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.347482287039397 (6.1629e-08% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.347482286360999 (1.56044e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.347482286300156 (1.3995e-09% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 4.347482286295715 (1.02149e-10% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 4.3474822862955 (4.94399e-12% change)
-Finished solving for bands 1 to 8 after 16 iterations.
-tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513
-elapsed time for k point: 0.05437302589416504
-solve_kpoint (-0.333333,0.333333,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.383709611536421 (0.261984% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.382001036495846 (0.0389831% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.381788780260462 (0.00484394% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.381750715857315 (0.000868699% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.381738092896315 (0.000288081% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 4.381730455726061 (0.000174296% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 4.381717816255641 (0.000288459% change)
- large trace change predicted (0.00139713%)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.381656919176987 (0.00138981% change)
- large trace change predicted (0.0051514%)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.381441330733306 (0.00492037% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.381282131279325 (0.00363356% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.381241296825334 (0.000932025% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.381221871387272 (0.000443378% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.381216164335712 (0.000130262% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.381215701244823 (1.05699e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.381215670929221 (6.91945e-07% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.381215668899547 (4.63267e-08% change)
- linmin: converged after 15 iterations.
- iteration 17: trace = 4.38121566842275 (1.08827e-08% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 4.38121566818573 (5.40992e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.381215667875738 (7.07548e-09% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 4.381215667457712 (9.54132e-09% change)
- large trace change predicted (2.89871e-08%)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.381215666187726 (2.89871e-08% change)
- large trace change predicted (1.22559e-07%)
- linmin: converged after 2 iterations.
- iteration 22: trace = 4.38121566081816 (1.22559e-07% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.381215657974622 (6.49029e-08% change)
- linmin: converged after 11 iterations.
- iteration 24: trace = 4.381215657571819 (9.19387e-09% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 4.381215657498213 (1.68004e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 4.38121565748099 (3.93123e-10% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 4.381215657476101 (1.11579e-10% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 4.381215657475532 (1.29946e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053
-elapsed time for k point: 0.09332537651062012
-solve_kpoint (-0.266667,0.266667,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.331786090078049 (0.980962% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.325045837959946 (0.155721% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.323282384521733 (0.0407814% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.322801726673121 (0.0111185% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.322744261437419 (0.00132936% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.322738562405229 (0.000131838% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.322737639096739 (2.13593e-05% change)
- linmin: converged after 14 iterations.
- iteration 8: trace = 4.322737373315284 (6.14845e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.322737323966322 (1.14161e-06% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.322737320305619 (8.46848e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.322737319841387 (1.07393e-08% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.32273731950741 (7.72606e-09% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.322737319388514 (2.75048e-09% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.322737319377672 (2.50813e-10% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 4.322737319376866 (1.86358e-11% change)
-Finished solving for bands 1 to 8 after 15 iterations.
-tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543
-elapsed time for k point: 0.05102038383483887
-solve_kpoint (-0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.30733259192351 (0.923129% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.302220684623329 (0.11875% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.301135561283071 (0.0252256% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.300888756572574 (0.00573829% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.3008568198607 (0.000742564% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 4.300852819316737 (9.30174e-05% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.300851758232528 (2.46715e-05% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.300851520938096 (5.51738e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.300851493117166 (6.4687e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.300851491505008 (3.74846e-08% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.30085149141083 (2.18975e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.300851491406211 (1.07386e-10% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.300851491405948 (6.13341e-12% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529
-elapsed time for k point: 0.044599056243896484
-solve_kpoint (-0.133333,0.133333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.324349374017137 (0.940312% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.31885438777056 (0.127152% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.317434132378246 (0.0328904% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.317148349406809 (0.0066195% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.317118057908731 (0.000701658% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.317114586099012 (8.04196e-05% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.317113326114097 (2.91858e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.317112957372542 (8.54139e-06% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 4.31711290354308 (1.24689e-06% change)
- linmin: converged after 14 iterations.
- iteration 10: trace = 4.317112897314944 (1.44266e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.317112896825685 (1.1333e-08% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.31711289679096 (8.0436e-10% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.317112896788793 (5.01786e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993
-elapsed time for k point: 0.044649362564086914
-solve_kpoint (-0.0666667,0.0666667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.370612521887688 (1.0309% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 4.362179672344748 (0.193131% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.358935647496757 (0.0743947% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.358364216793742 (0.0131103% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.358306058549726 (0.00133441% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.358298660455427 (0.000169747% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.358297720839165 (2.15592e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.358297586070673 (3.09223e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.358297546325382 (9.11945e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.358297522360147 (5.49876e-07% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.358297517194552 (1.18523e-07% change)
- linmin: converged after 15 iterations.
- iteration 12: trace = 4.358297516480512 (1.63835e-08% change)
- linmin: converged after 14 iterations.
- iteration 13: trace = 4.358297516296371 (4.22506e-09% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 4.358297516225988 (1.61492e-09% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.35829751621598 (2.29651e-10% change)
- linmin: converged after 14 iterations.
- iteration 16: trace = 4.358297516212385 (8.24739e-11% change)
-Finished solving for bands 1 to 8 after 16 iterations.
-tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248
-elapsed time for k point: 0.054392337799072266
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.411986819853022 (1.21496% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.395278738318527 (0.379416% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.386670154538979 (0.196052% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.385375435085717 (0.0295192% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.385158037461173 (0.00495745% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.385115462211111 (0.000970899% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.385101645836655 (0.000315075% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 4.385091804775308 (0.000224421% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 4.385087112979726 (0.000106994% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.385086288853222 (1.87938e-05% change)
- linmin: converged after 18 iterations.
- iteration 11: trace = 4.385086150105526 (3.16408e-06% change)
- linmin: converged after 24 iterations.
- iteration 12: trace = 4.385086139697305 (2.37355e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.385086139058149 (1.45757e-08% change)
- linmin: converged after 18 iterations.
- iteration 14: trace = 4.385086138940978 (2.67204e-09% change)
- large trace change predicted (7.99145e-09%)
- linmin: converged after 19 iterations.
- iteration 15: trace = 4.385086138590539 (7.99161e-09% change)
- large trace change predicted (6.99046e-08%)
- linmin: converged after 4 iterations.
- iteration 16: trace = 4.385086135525146 (6.9905e-08% change)
- large trace change predicted (2.99638e-07%)
- linmin: converged after 15 iterations.
- iteration 17: trace = 4.38508612238568 (2.9964e-07% change)
- large trace change predicted (1.05365e-06%)
- linmin: converged after 4 iterations.
- iteration 18: trace = 4.385086076184955 (1.05359e-06% change)
- near maximum in trace
- linmin: converged after 11 iterations.
- iteration 19: trace = 4.385075354205838 (0.00024451% change)
- linmin: converged after 9 iterations.
- iteration 20: trace = 4.385074742555071 (1.39485e-05% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 4.385074123016911 (1.41283e-05% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 4.385073489483645 (1.44475e-05% change)
- linmin: converged after 6 iterations.
- iteration 23: trace = 4.385072830671909 (1.5024e-05% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 4.385072133156352 (1.59066e-05% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 4.385071381701924 (1.71367e-05% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 4.38507055881408 (1.87657e-05% change)
- linmin: converged after 11 iterations.
- iteration 27: trace = 4.385069644258448 (2.08561e-05% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 4.385068615201292 (2.34673e-05% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 4.385067448165703 (2.66139e-05% change)
- linmin: converged after 12 iterations.
- iteration 30: trace = 4.385066125006874 (3.01742e-05% change)
- linmin: converged after 10 iterations.
- iteration 31: trace = 4.385064645392967 (3.37421e-05% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 4.385063043532337 (3.65299e-05% change)
- linmin: converged after 7 iterations.
- iteration 33: trace = 4.385061393686593 (3.76242e-05% change)
- linmin: converged after 6 iterations.
- iteration 34: trace = 4.385059785765457 (3.66682e-05% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 4.38505828571092 (3.42083e-05% change)
- linmin: converged after 10 iterations.
- iteration 36: trace = 4.385056918715764 (3.11739e-05% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 4.38505568014297 (2.82453e-05% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 4.385054552447188 (2.57168e-05% change)
- linmin: converged after 6 iterations.
- iteration 39: trace = 4.385053515901609 (2.36381e-05% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 4.385052553115354 (2.19561e-05% change)
- linmin: converged after 10 iterations.
- iteration 41: trace = 4.385051650230681 (2.05901e-05% change)
- linmin: converged after 8 iterations.
- iteration 42: trace = 4.385050796780807 (1.94627e-05% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 4.385049985135449 (1.85094e-05% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 4.385049209893258 (1.76792e-05% change)
- linmin: converged after 6 iterations.
- iteration 45: trace = 4.385048467337937 (1.69338e-05% change)
- linmin: converged after 8 iterations.
- iteration 46: trace = 4.385047754984416 (1.62451e-05% change)
- linmin: converged after 12 iterations.
- iteration 47: trace = 4.385047071278264 (1.55918e-05% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 4.385046415093593 (1.49641e-05% change)
- linmin: converged after 7 iterations.
- iteration 49: trace = 4.385045785697033 (1.43532e-05% change)
- linmin: converged after 8 iterations.
- iteration 50: trace = 4.385045182665159 (1.3752e-05% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 4.385044605515017 (1.31618e-05% change)
- linmin: converged after 7 iterations.
- iteration 52: trace = 4.385044053772608 (1.25824e-05% change)
- linmin: converged after 5 iterations.
- iteration 53: trace = 4.385043526949073 (1.20141e-05% change)
- linmin: converged after 6 iterations.
- iteration 54: trace = 4.38504302444603 (1.14595e-05% change)
- linmin: converged after 7 iterations.
- iteration 55: trace = 4.385042545584802 (1.09203e-05% change)
- linmin: converged after 5 iterations.
- iteration 56: trace = 4.385042089573762 (1.03992e-05% change)
- linmin: converged after 6 iterations.
- iteration 57: trace = 4.385041655577478 (9.8972e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 4.385041242694529 (9.41571e-06% change)
- linmin: converged after 7 iterations.
- iteration 59: trace = 4.385040849983951 (8.95569e-06% change)
- linmin: converged after 5 iterations.
- iteration 60: trace = 4.385040476484113 (8.51759e-06% change)
- linmin: converged after 5 iterations.
- iteration 61: trace = 4.385040121217231 (8.10179e-06% change)
- linmin: converged after 5 iterations.
- iteration 62: trace = 4.385039783217611 (7.70802e-06% change)
- linmin: converged after 5 iterations.
- iteration 63: trace = 4.385039461533078 (7.33595e-06% change)
- linmin: converged after 8 iterations.
- iteration 64: trace = 4.385039155231173 (6.98516e-06% change)
- linmin: converged after 5 iterations.
- iteration 65: trace = 4.385038863412921 (6.65486e-06% change)
- linmin: converged after 5 iterations.
- iteration 66: trace = 4.385038585211775 (6.34433e-06% change)
- linmin: converged after 11 iterations.
- iteration 67: trace = 4.385038319799365 (6.05268e-06% change)
- linmin: converged after 5 iterations.
- iteration 68: trace = 4.385038066386834 (5.77903e-06% change)
- linmin: converged after 5 iterations.
- iteration 69: trace = 4.385037824224584 (5.52247e-06% change)
- resetting CG direction...
- large trace change predicted (0.00313316%)
- linmin: converged after 4 iterations.
- iteration 70: trace = 4.384900323834382 (0.00313572% change)
- linmin: converged after 5 iterations.
- iteration 71: trace = 4.384884251653409 (0.000366535% change)
- linmin: converged after 15 iterations.
- iteration 72: trace = 4.384873438099873 (0.00024661% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 4.384870687921397 (6.27197e-05% change)
- linmin: converged after 8 iterations.
- iteration 74: trace = 4.384870449208404 (5.44401e-06% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 4.384870415805898 (7.61767e-07% change)
- linmin: converged after 6 iterations.
- iteration 76: trace = 4.38487040111867 (3.34952e-07% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 4.384870393492229 (1.73926e-07% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 4.384870389505634 (9.09171e-08% change)
- linmin: converged after 17 iterations.
- iteration 79: trace = 4.384870388333979 (2.67204e-08% change)
- linmin: converged after 7 iterations.
- iteration 80: trace = 4.384870388228482 (2.40593e-09% change)
- linmin: converged after 5 iterations.
- iteration 81: trace = 4.384870388201534 (6.14553e-10% change)
- large trace change predicted (3.52788e-09%)
- linmin: converged after 3 iterations.
- iteration 82: trace = 4.384870388046835 (3.52803e-09% change)
- large trace change predicted (3.76309e-08%)
- linmin: converged after 11 iterations.
- iteration 83: trace = 4.384870386396763 (3.7631e-08% change)
- large trace change predicted (1.53218e-07%)
- linmin: converged after 4 iterations.
- iteration 84: trace = 4.384870379678431 (1.53216e-07% change)
- linmin: converged after 12 iterations.
- iteration 85: trace = 4.384870373496177 (1.40991e-07% change)
- linmin: converged after 5 iterations.
- iteration 86: trace = 4.384870369364628 (9.42228e-08% change)
- linmin: converged after 4 iterations.
- iteration 87: trace = 4.384870363595912 (1.3156e-07% change)
- linmin: converged after 4 iterations.
- iteration 88: trace = 4.384870360433216 (7.21275e-08% change)
- linmin: converged after 4 iterations.
- iteration 89: trace = 4.384870359582584 (1.93993e-08% change)
- linmin: converged after 19 iterations.
- iteration 90: trace = 4.384870359189021 (8.97547e-09% change)
- linmin: converged after 5 iterations.
- iteration 91: trace = 4.384870359114158 (1.7073e-09% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 4.384870359106892 (1.6571e-10% change)
- linmin: converged after 6 iterations.
- iteration 93: trace = 4.384870359106214 (1.5455e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928
-elapsed time for k point: 0.25150132179260254
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354986 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.5751709345431465 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261712 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6918627724774278 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306566 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 5 range: 0.7443374497087797 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092521 at Vector3<0.0, 0.5, 0.0>
-Band 6 range: 0.78527869844185 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712554 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 7 range: 0.7856577771856614 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014186 at Vector3<0.0, 0.5, 0.0>
-Band 8 range: 1.0540350508135126 at Vector3<0.0, 0.5, 0.0> to 1.149276938923452 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.3351167660354986) to band 2 (0.3351850759916969), 0.020381849464022318%
-Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431465), 28.919416524522983%
-Gap from band 5 (0.7793792212092521) to band 6 (0.78527869844185), 0.7540916335135398%
-Gap from band 7 (0.9122560439014186) to band 8 (1.0540350508135126), 14.420958045649781%
-total elapsed time for run: 1.1584117412567139
-done
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (0.866025, 0.5, 0)
- (0.866025, -0.5, 0)
- (0, 0, 1)
-Cell volume = 0.866025
-Reciprocal lattice vectors (/ 2 pi):
- (0.57735, 1, -0)
- (0.57735, -1, 0)
- (-0, 0, 1)
-Geometric objects:
- cylinder, center = (0.166667,0.166667,0)
- radius 0.14, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-0.166667,-0.166667,0)
- radius 0.14, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects)
-Initializing epsilon function...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.0, 0.1, 0.0>
- Vector3<0.0, 0.2, 0.0>
- Vector3<0.0, 0.30000000000000004, 0.0>
- Vector3<0.0, 0.4, 0.0>
- Vector3<0.0, 0.5, 0.0>
- Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
- Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
- Vector3<-0.2, 0.39999999999999997, 0.0>
- Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
- Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
- Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
- Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
- Vector3<-0.1333333333333333, 0.1333333333333333, 0.0>
- Vector3<-0.06666666666666665, 0.06666666666666665, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0015177726745605469
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 12 iterations.
- iteration 1: trace = 17.92607897538319 (194.877% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 7.881119914880881 (77.8462% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.848510109177969 (14.0209% change)
- linmin: converged after 7 iterations.
- iteration 4: trace = 6.588886523633432 (3.86419% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.523769424240228 (0.993195% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.496465469866148 (0.419408% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 6.483109823717936 (0.205795% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 6.47489345606278 (0.126815% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.472166897132243 (0.0421186% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.470881088000219 (0.0198687% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.470157573753596 (0.0111817% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.469608843969674 (0.00848129% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.469122408660828 (0.00751906% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 6.468841027070809 (0.0043497% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 6.468666577909485 (0.0026968% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 6.468592519452094 (0.00114489% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 6.468566795431892 (0.000397676% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 6.468554711940077 (0.000186803% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 6.468546490013788 (0.000127106% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 6.468532135358178 (0.000221915% change)
- large trace change predicted (0.00051345%)
- linmin: converged after 5 iterations.
- iteration 21: trace = 6.468498926665532 (0.00051339% change)
- large trace change predicted (0.00142191%)
- linmin: converged after 5 iterations.
- iteration 22: trace = 6.468407161827736 (0.00141865% change)
- large trace change predicted (0.00515645%)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.468086335224053 (0.00496002% change)
- large trace change predicted (0.0109938%)
- linmin: converged after 11 iterations.
- iteration 24: trace = 6.467419876416453 (0.0103043% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 6.466887403808943 (0.00823349% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 6.46664078986795 (0.00381356% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 6.466547272917 (0.00144615% change)
- linmin: converged after 8 iterations.
- iteration 28: trace = 6.466507039001571 (0.000622187% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 6.466489937738228 (0.000264459% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.466483473165567 (9.99704e-05% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.466478920808034 (7.03993e-05% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.466475299913414 (5.59949e-05% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 6.46647264014508 (4.11317e-05% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 6.466470979754835 (2.56769e-05% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 6.466469915055258 (1.64649e-05% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 6.466469179614521 (1.13731e-05% change)
- linmin: converged after 5 iterations.
- iteration 37: trace = 6.46646875172329 (6.61708e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 6.466468412457695 (5.24654e-06% change)
- linmin: converged after 6 iterations.
- iteration 39: trace = 6.466467929858439 (7.4631e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 6.466467100420315 (1.28268e-05% change)
- large trace change predicted (2.85188e-05%)
- linmin: converged after 5 iterations.
- iteration 41: trace = 6.466465255870575 (2.85248e-05% change)
- large trace change predicted (6.2393e-05%)
- linmin: converged after 6 iterations.
- iteration 42: trace = 6.466461220016761 (6.24121e-05% change)
- large trace change predicted (0.000157529%)
- linmin: converged after 5 iterations.
- iteration 43: trace = 6.46645103001381 (0.000157582% change)
- linmin: converged after 8 iterations.
- iteration 44: trace = 6.466433013341643 (0.000278618% change)
- linmin: converged after 6 iterations.
- iteration 45: trace = 6.466416782672162 (0.000250999% change)
- linmin: converged after 5 iterations.
- iteration 46: trace = 6.4664094905272 (0.00011277% change)
- linmin: converged after 5 iterations.
- iteration 47: trace = 6.466406899774644 (4.00648e-05% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 6.46640609447639 (1.24536e-05% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 6.466405844610549 (3.86406e-06% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 6.466405769905435 (1.15528e-06% change)
- linmin: converged after 2 iterations.
- iteration 51: trace = 6.466405747179933 (3.51439e-07% change)
- linmin: converged after 5 iterations.
- iteration 52: trace = 6.466405737995057 (1.4204e-07% change)
- linmin: converged after 2 iterations.
- iteration 53: trace = 6.466405731537542 (9.98625e-08% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.466405724918882 (1.02355e-07% change)
- linmin: converged after 2 iterations.
- iteration 55: trace = 6.46640571804728 (1.06266e-07% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 6.46640571327516 (7.37987e-08% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 6.466405709707839 (5.5167e-08% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 6.466405707036908 (4.13047e-08% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 6.46640570413072 (4.49429e-08% change)
- linmin: converged after 2 iterations.
- iteration 60: trace = 6.466405699086192 (7.80113e-08% change)
- large trace change predicted (1.56029e-07%)
- linmin: converged after 4 iterations.
- iteration 61: trace = 6.466405688996683 (1.5603e-07% change)
- large trace change predicted (3.74427e-07%)
- linmin: converged after 10 iterations.
- iteration 62: trace = 6.466405664784492 (3.7443e-07% change)
- linmin: converged after 5 iterations.
- iteration 63: trace = 6.466405627488661 (5.76763e-07% change)
- linmin: converged after 12 iterations.
- iteration 64: trace = 6.466405586875672 (6.28061e-07% change)
- linmin: converged after 23 iterations.
- iteration 65: trace = 6.466405565064147 (3.37305e-07% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 6.4664055559071 (1.4161e-07% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 6.46640555260463 (5.10712e-08% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 6.466405551334199 (1.96466e-08% change)
- linmin: converged after 2 iterations.
- iteration 69: trace = 6.466405550798717 (8.28098e-09% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 70: trace = 6.466405550641908 (2.42498e-09% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 6.466405550503332 (2.14302e-09% change)
- linmin: converged after 9 iterations.
- iteration 72: trace = 6.466405550444732 (9.06212e-10% change)
- linmin: converged after 2 iterations.
- iteration 73: trace = 6.466405550414196 (4.72232e-10% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 6.466405550383241 (4.78702e-10% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 6.466405550351419 (4.92121e-10% change)
- large trace change predicted (1.03796e-09%)
- linmin: converged after 4 iterations.
- iteration 76: trace = 6.466405550284295 (1.03804e-09% change)
- large trace change predicted (2.15828e-09%)
- linmin: converged after 3 iterations.
- iteration 77: trace = 6.466405550144725 (2.15837e-09% change)
- large trace change predicted (4.86816e-09%)
- linmin: converged after 2 iterations.
- iteration 78: trace = 6.466405549829948 (4.86789e-09% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 6.466405549268318 (8.68535e-09% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 6.466405548565625 (1.08668e-08% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 6.466405547892629 (1.04076e-08% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 6.466405547384065 (7.86471e-09% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 6.466405546956302 (6.61517e-09% change)
- linmin: converged after 12 iterations.
- iteration 84: trace = 6.466405546505226 (6.97568e-09% change)
- linmin: converged after 5 iterations.
- iteration 85: trace = 6.466405546056942 (6.93251e-09% change)
- linmin: converged after 7 iterations.
- iteration 86: trace = 6.466405545724251 (5.14492e-09% change)
- linmin: converged after 4 iterations.
- iteration 87: trace = 6.466405545536705 (2.90031e-09% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 6.46640554546141 (1.16439e-09% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 6.466405545440695 (3.20348e-10% change)
- linmin: converged after 4 iterations.
- iteration 90: trace = 6.466405545433981 (1.03839e-10% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 6.466405545431611 (3.66457e-11% change)
-Finished solving for bands 2 to 8 after 91 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334
-elapsed time for k point: 0.2461566925048828
-solve_kpoint (0,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 6.464067053669357 (0.950104% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 6.434765702784639 (0.454326% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.415644747700409 (0.297593% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 6.394653603632566 (0.327723% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 6.384220860662882 (0.163281% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.377901272319226 (0.0990366% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.375261062399932 (0.0414048% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.373625086028884 (0.0256646% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.372011047626751 (0.0253269% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.370462458419555 (0.0243059% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 6.369069011403234 (0.021876% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.368402519858785 (0.0104651% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.368153913662254 (0.00390382% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 6.368046529099064 (0.00168629% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 6.368001436765208 (0.000708106% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 6.367977391422778 (0.000377597% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 6.367957304381571 (0.000315439% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 6.367940626652769 (0.000261901% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 6.367929610028832 (0.000173002% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 6.367922428078566 (0.000112783% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 6.367918388195516 (6.34412e-05% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 6.367915639597514 (4.31632e-05% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 6.36791367406002 (3.08663e-05% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 6.367912248326844 (2.23893e-05% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 6.367910983142096 (1.98681e-05% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 6.367910002777575 (1.53954e-05% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 6.36790948337494 (8.15656e-06% change)
- linmin: converged after 17 iterations.
- iteration 28: trace = 6.367909240413528 (3.8154e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 6.367909155901631 (1.32715e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 6.367909122690511 (5.21539e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 6.367909103766926 (2.97171e-07% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.367909090577581 (2.07122e-07% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 6.367909079277712 (1.7745e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 6.36790906864871 (1.66915e-07% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 6.367909061036064 (1.19547e-07% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 6.367909056621686 (6.93223e-08% change)
- linmin: converged after 7 iterations.
- iteration 37: trace = 6.367909054296987 (3.65065e-08% change)
- linmin: converged after 25 iterations.
- iteration 38: trace = 6.367909052624112 (2.62704e-08% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 6.367909051314635 (2.05637e-08% change)
- linmin: converged after 19 iterations.
- iteration 40: trace = 6.367909050370923 (1.48198e-08% change)
- linmin: converged after 12 iterations.
- iteration 41: trace = 6.367909049791789 (9.09459e-09% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 6.367909049418208 (5.86661e-09% change)
- linmin: converged after 7 iterations.
- iteration 43: trace = 6.367909049257634 (2.52162e-09% change)
- linmin: converged after 15 iterations.
- iteration 44: trace = 6.367909049201551 (8.80701e-10% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 6.36790904918262 (2.97296e-10% change)
- linmin: converged after 16 iterations.
- iteration 46: trace = 6.367909049171294 (1.77861e-10% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.36790904915873 (1.97291e-10% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 6.367909049144634 (2.21364e-10% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 6.367909049133674 (1.72115e-10% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 6.367909049127841 (9.15947e-11% change)
-Finished solving for bands 1 to 8 after 50 iterations.
-tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036
-elapsed time for k point: 0.16527533531188965
-solve_kpoint (0,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 8 iterations.
- iteration 1: trace = 6.320003260588898 (0.45358% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.311018991319353 (0.142257% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.308745252010862 (0.0360346% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 6.30786887448632 (0.0138924% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 6.307557660640787 (0.00493386% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 6.307472354505054 (0.00135245% change)
- linmin: converged after 18 iterations.
- iteration 7: trace = 6.307433279783377 (0.000619501% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 6.307420189300787 (0.000207541% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 6.307414904205114 (8.37918e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 6.307412046921455 (4.53004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.307410415159065 (2.58706e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 6.307409446531607 (1.5357e-05% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.307408968969276 (7.57145e-06% change)
- linmin: converged after 26 iterations.
- iteration 14: trace = 6.307408722233328 (3.91184e-06% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.307408593328495 (2.04371e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 6.307408549531673 (6.94371e-07% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 6.307408534807223 (2.33447e-07% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 6.307408529970343 (7.66857e-08% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 6.307408528488401 (2.34953e-08% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 6.307408528005171 (7.66131e-09% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 6.307408527853786 (2.40011e-09% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 6.307408527794083 (9.46559e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.307408527756509 (5.95704e-10% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 6.307408527736825 (3.12074e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.307408527727556 (1.46969e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 6.307408527722558 (7.92367e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834
-elapsed time for k point: 0.08668375015258789
-solve_kpoint (0,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.297463613016943 (0.437255% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.286946394765085 (0.167147% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 6.284028604057987 (0.0464211% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.282826267186057 (0.019135% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 6.282353152588189 (0.00753057% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.282211510432963 (0.00225463% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.28210807752835 (0.00164645% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.282049428305429 (0.000933596% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.282007604384527 (0.000665771% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.28198892944936 (0.000297277% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.281981237844897 (0.000122439% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 6.281976759972078 (7.12812e-05% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.281973995724723 (4.40028e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 6.2819724946079 (2.38956e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.281971806094752 (1.09601e-05% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 6.281971630844388 (2.78974e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 6.281971579295186 (8.2059e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.281971566101337 (2.10027e-07% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.281971562304189 (6.04452e-08% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.281971560806635 (2.38389e-08% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 6.281971560352624 (7.22721e-09% change)
- linmin: converged after 18 iterations.
- iteration 22: trace = 6.281971560186316 (2.64738e-09% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.281971560120156 (1.05318e-09% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 6.281971560091684 (4.53239e-10% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 6.281971560080303 (1.81157e-10% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.281971560075127 (8.23994e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655
-elapsed time for k point: 0.08645391464233398
-solve_kpoint (0,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.300840158369326 (0.430756% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.289206684355614 (0.184804% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 6.286050269834831 (0.0502004% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.284751976800665 (0.0206557% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.28407227131049 (0.0108157% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.283704056617327 (0.00585966% change)
- linmin: converged after 7 iterations.
- iteration 7: trace = 6.2832585270345 (0.00709049% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.283014882136316 (0.00387776% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.282869782341344 (0.00230942% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.282800167351094 (0.00110802% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.28274700499586 (0.000846161% change)
- linmin: converged after 9 iterations.
- iteration 12: trace = 6.282703557060905 (0.000691546% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 6.282682229334572 (0.000339468% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.282675130392991 (0.000112992% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.282672608965546 (4.0133e-05% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 6.282672096548786 (8.15603e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.282671912329325 (2.93218e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 6.28267184119006 (1.13231e-06% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 6.282671801233814 (6.35975e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 6.282671779010525 (3.53724e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 6.28267177078478 (1.30928e-07% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.282671767753041 (4.82556e-08% change)
- linmin: converged after 16 iterations.
- iteration 23: trace = 6.282671766763957 (1.57431e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 6.282671766458821 (4.85679e-09% change)
- linmin: converged after 13 iterations.
- iteration 25: trace = 6.282671766336982 (1.93928e-09% change)
- linmin: converged after 8 iterations.
- iteration 26: trace = 6.282671766260689 (1.21434e-09% change)
- linmin: converged after 10 iterations.
- iteration 27: trace = 6.282671766201561 (9.41125e-10% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.282671766155276 (7.36719e-10% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 6.282671766133061 (3.53593e-10% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 6.282671766123542 (1.51506e-10% change)
- linmin: converged after 6 iterations.
- iteration 31: trace = 6.28267176611981 (5.94035e-11% change)
-Finished solving for bands 1 to 8 after 31 iterations.
-tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665
-elapsed time for k point: 0.10288023948669434
-solve_kpoint (0,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.32305852451857 (0.41541% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.311730025503867 (0.179322% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.308426930511856 (0.0523463% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.306501212724845 (0.0305308% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.304352136232588 (0.034083% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.302203468400638 (0.0340881% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 6.299495340678916 (0.0429804% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.298130082632392 (0.0216748% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.296931272767017 (0.0190362% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.295807443255548 (0.0178488% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.294899315455991 (0.0144254% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 6.294524809215385 (0.00594954% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.294437485924472 (0.0013873% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.294418376016299 (0.0003036% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 6.29441118909261 (0.000114179% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 6.294408935263553 (3.58068e-05% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 6.294407437985897 (2.37874e-05% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 6.294406459003853 (1.55532e-05% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 6.294405986379172 (7.50865e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 6.294405825788342 (2.55133e-06% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 6.294405782629283 (6.85673e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 6.294405766447001 (2.5709e-07% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.294405751369214 (2.39543e-07% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 6.294405733484961 (2.84129e-07% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 6.294405719045192 (2.29406e-07% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.294405712361771 (1.0618e-07% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.294405710179676 (3.46672e-08% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 6.294405708996514 (1.8797e-08% change)
- linmin: converged after 17 iterations.
- iteration 29: trace = 6.294405707877621 (1.7776e-08% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.294405706286289 (2.52817e-08% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 6.294405704817201 (2.33396e-08% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 6.294405704102932 (1.13477e-08% change)
- linmin: converged after 17 iterations.
- iteration 33: trace = 6.29440570376873 (5.30951e-09% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 6.294405703545728 (3.54286e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 6.29440570340198 (2.28373e-09% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 6.294405703320329 (1.2972e-09% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 6.294405703286797 (5.32732e-10% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 6.294405703273481 (2.1156e-10% change)
- linmin: converged after 6 iterations.
- iteration 39: trace = 6.294405703268606 (7.7439e-11% change)
-Finished solving for bands 1 to 8 after 39 iterations.
-tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202
-elapsed time for k point: 0.12888526916503906
-solve_kpoint (-0.0666667,0.466667,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.304124176924446 (0.136202% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.299143727762917 (0.0790343% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.297619114860192 (0.0242064% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.296869484147609 (0.0119041% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.296579810595722 (0.00460038% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 6.296498469687463 (0.00129184% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.29647411415061 (0.000386812% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 6.296468894841439 (8.28926e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 6.296468163009845 (1.16229e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.296467941171192 (3.52322e-06% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.29646786532974 (1.20451e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 6.296467833969841 (4.98055e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 6.296467809829995 (3.83387e-07% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 6.296467783022479 (4.25755e-07% change)
- linmin: converged after 23 iterations.
- iteration 15: trace = 6.296467750315609 (5.19448e-07% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 6.296467727879383 (3.5633e-07% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 6.296467716753019 (1.76708e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 6.296467707688741 (1.43958e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 6.296467699980609 (1.2242e-07% change)
- linmin: converged after 27 iterations.
- iteration 20: trace = 6.296467694261516 (9.08302e-08% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 6.296467691403795 (4.53861e-08% change)
- linmin: converged after 18 iterations.
- iteration 22: trace = 6.296467690402601 (1.59009e-08% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 6.296467690046346 (5.65801e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.296467689824289 (3.52669e-09% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.296467689597056 (3.6089e-09% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.296467689392047 (3.25593e-09% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 6.296467689305398 (1.37615e-09% change)
- linmin: converged after 7 iterations.
- iteration 28: trace = 6.296467689279564 (4.10301e-10% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 6.296467689270653 (1.41525e-10% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 6.296467689265775 (7.747e-11% change)
-Finished solving for bands 1 to 8 after 30 iterations.
-tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197
-elapsed time for k point: 0.10015487670898438
-solve_kpoint (-0.133333,0.433333,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 6.30975586923275 (0.140741% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 6.304446785318165 (0.0841763% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.302898425009155 (0.0245628% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.302200209028445 (0.0110783% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.301949962624072 (0.00397086% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 6.301878185411298 (0.00113897% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 6.301853710018614 (0.000388383% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 6.30184808726186 (8.92239e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 6.301846911960207 (1.86501e-05% change)
- linmin: converged after 7 iterations.
- iteration 10: trace = 6.301846388216834 (8.31095e-06% change)
- linmin: converged after 16 iterations.
- iteration 11: trace = 6.301846085007986 (4.81143e-06% change)
- linmin: converged after 7 iterations.
- iteration 12: trace = 6.301845888867719 (3.11243e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 6.301845757622948 (2.08264e-06% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 6.301845698619576 (9.36287e-07% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 6.301845668235452 (4.82146e-07% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 6.301845649790792 (2.92687e-07% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 6.30184562932028 (3.24834e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.3018456018491 (4.35923e-07% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 6.301845579579587 (3.53381e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 6.301845567110187 (1.97869e-07% change)
- linmin: converged after 21 iterations.
- iteration 21: trace = 6.301845561609795 (8.72822e-08% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 6.301845559125029 (3.94292e-08% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.301845557289972 (2.91194e-08% change)
- linmin: converged after 14 iterations.
- iteration 24: trace = 6.301845555247243 (3.24148e-08% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 6.301845553038588 (3.50478e-08% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.30184555168397 (2.14956e-08% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 6.301845551182753 (7.95349e-09% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.301845550984639 (3.14374e-09% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 6.301845550903849 (1.28201e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 6.301845550857777 (7.31081e-10% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.301845550833526 (3.84835e-10% change)
- linmin: converged after 7 iterations.
- iteration 32: trace = 6.301845550825478 (1.27705e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 6.301845550822882 (4.11966e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183
-elapsed time for k point: 0.10963940620422363
-solve_kpoint (-0.2,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.317078115565954 (0.146594% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 6.311483197730214 (0.0886074% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.310056572930605 (0.0226062% change)
- linmin: converged after 8 iterations.
- iteration 4: trace = 6.309473827662909 (0.00923561% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.309287208923827 (0.0029578% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.3092292265646 (0.000919004% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 6.309202973780172 (0.000416102% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 6.309194406599303 (0.000135789% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 6.309190349198362 (6.43094e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.30918737596305 (4.71255e-05% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 6.30918556745539 (2.86647e-05% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 6.309184755087376 (1.2876e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 6.309184446575687 (4.88988e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 6.3091843520256 (1.49861e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 6.309184300579695 (8.15413e-07% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 6.30918425767296 (6.80068e-07% change)
- linmin: converged after 28 iterations.
- iteration 17: trace = 6.30918419871607 (9.34461e-07% change)
- linmin: converged after 13 iterations.
- iteration 18: trace = 6.309184133927531 (1.02689e-06% change)
- linmin: converged after 7 iterations.
- iteration 19: trace = 6.30918409968129 (5.428e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 6.309184084106096 (2.46865e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 6.309184076911389 (1.14035e-07% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.309184072438057 (7.09019e-08% change)
- linmin: converged after 6 iterations.
- iteration 23: trace = 6.309184068130108 (6.82806e-08% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 6.30918406321269 (7.79406e-08% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 6.309184056450055 (1.07187e-07% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 6.309184051362617 (8.06354e-08% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 6.309184048652941 (4.29481e-08% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.309184047348843 (2.06698e-08% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 6.309184046823375 (8.32863e-09% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 6.309184046545847 (4.39878e-09% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 6.309184046419697 (1.99948e-09% change)
- linmin: converged after 7 iterations.
- iteration 32: trace = 6.309184046373008 (7.40014e-10% change)
- linmin: converged after 11 iterations.
- iteration 33: trace = 6.309184046358341 (2.32463e-10% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.309184046353368 (7.88202e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717
-elapsed time for k point: 0.11339974403381348
-solve_kpoint (-0.266667,0.366667,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.32572780193767 (0.146427% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 6.320285470991051 (0.0860719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.319074550849309 (0.0191611% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.318622553858084 (0.00715315% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.318479349131765 (0.00226642% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.31842028843446 (0.000934734% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 6.318374042077405 (0.000731932% change)
- linmin: converged after 7 iterations.
- iteration 8: trace = 6.318349508622388 (0.000388288% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 6.318335411525507 (0.000223114% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 6.318328246609449 (0.000113399% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 6.31832558476924 (4.21289e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.318324523262488 (1.68004e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 6.318324118772354 (6.40186e-06% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 6.318323928381334 (3.01332e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 6.318323717793441 (3.33297e-06% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 6.318323450132179 (4.23627e-06% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 6.318323137017827 (4.95566e-06% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.318322959162462 (2.81491e-06% change)
- linmin: converged after 22 iterations.
- iteration 19: trace = 6.318322903495078 (8.81047e-07% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 6.318322888313309 (2.40282e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 6.318322883797162 (7.1477e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 6.318322882181396 (2.55727e-08% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.31832288139463 (1.24521e-08% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 6.318322880964165 (6.81297e-09% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.318322880605027 (5.68407e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 6.3183228802096 (6.25843e-09% change)
- linmin: converged after 30 iterations.
- iteration 27: trace = 6.318322879598529 (9.6714e-09% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 6.318322878497079 (1.74326e-08% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 6.318322877602431 (1.41596e-08% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.318322877083818 (8.20808e-09% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.318322876807065 (4.38018e-09% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 6.318322876668269 (2.19672e-09% change)
- linmin: converged after 10 iterations.
- iteration 33: trace = 6.318322876613934 (8.59962e-10% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.318322876598199 (2.49037e-10% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 6.318322876593966 (6.69966e-11% change)
-Finished solving for bands 1 to 8 after 35 iterations.
-tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722
-elapsed time for k point: 0.1162259578704834
-solve_kpoint (-0.333333,0.333333,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 6.337373568352012 (0.139364% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.332424094185279 (0.0781303% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.331354309828022 (0.0168952% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.330940591280346 (0.00653465% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.330763210202731 (0.00280185% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 6.330643969808116 (0.00188353% change)
- linmin: converged after 16 iterations.
- iteration 7: trace = 6.330526348142682 (0.00185799% change)
- linmin: converged after 17 iterations.
- iteration 8: trace = 6.330475545201162 (0.000802511% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 6.330456130107853 (0.000306693% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.330448155868348 (0.000125966% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.330444917505769 (5.11554e-05% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 6.330441968361909 (4.65867e-05% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.330438826387945 (4.96328e-05% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 6.330433859958823 (7.84532e-05% change)
- large trace change predicted (0.000173114%)
- linmin: converged after 4 iterations.
- iteration 15: trace = 6.330422902016024 (0.0001731% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 6.330408494653135 (0.00022759% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 6.330393091584735 (0.000243319% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 6.330384367767492 (0.000137809% change)
- linmin: converged after 7 iterations.
- iteration 19: trace = 6.330379302030503 (8.00226e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 6.330373672659224 (8.89263e-05% change)
- large trace change predicted (0.000227718%)
- linmin: converged after 5 iterations.
- iteration 21: trace = 6.33035925724891 (0.000227718% change)
- large trace change predicted (0.000970824%)
- linmin: converged after 4 iterations.
- iteration 22: trace = 6.330298260639156 (0.000963561% change)
- large trace change predicted (0.00347969%)
- linmin: converged after 6 iterations.
- iteration 23: trace = 6.330100731410994 (0.00312043% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 6.329824561188028 (0.0043629% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 6.329581572606542 (0.00383886% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 6.329442198108147 (0.00220198% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.329368644701107 (0.00116209% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.329332395258531 (0.00057272% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 6.32932199067881 (0.000164387% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.329319097534167 (4.57102e-05% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.329318299781549 (1.26041e-05% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.329317993705504 (4.83585e-06% change)
- linmin: converged after 22 iterations.
- iteration 33: trace = 6.329317822762581 (2.70081e-06% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 6.329317711511705 (1.75771e-06% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 6.329317634102344 (1.22303e-06% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 6.329317560447074 (1.16372e-06% change)
- linmin: converged after 5 iterations.
- iteration 37: trace = 6.329317473969666 (1.3663e-06% change)
- linmin: converged after 17 iterations.
- iteration 38: trace = 6.329317376070318 (1.54676e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 6.329317304082064 (1.13738e-06% change)
- linmin: converged after 2 iterations.
- iteration 40: trace = 6.329317262529589 (6.56508e-07% change)
- linmin: converged after 21 iterations.
- iteration 41: trace = 6.329317230455207 (5.06759e-07% change)
- linmin: converged after 8 iterations.
- iteration 42: trace = 6.329317195172118 (5.57455e-07% change)
- linmin: converged after 7 iterations.
- iteration 43: trace = 6.329317162831521 (5.10965e-07% change)
- linmin: converged after 9 iterations.
- iteration 44: trace = 6.329317144688077 (2.86657e-07% change)
- linmin: converged after 2 iterations.
- iteration 45: trace = 6.329317134236727 (1.65126e-07% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 6.32931712562798 (1.36014e-07% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 6.329317115427865 (1.61157e-07% change)
- linmin: converged after 6 iterations.
- iteration 48: trace = 6.329317101087421 (2.26572e-07% change)
- linmin: converged after 2 iterations.
- iteration 49: trace = 6.329317075124321 (4.10204e-07% change)
- large trace change predicted (8.61034e-07%)
- linmin: converged after 8 iterations.
- iteration 50: trace = 6.329317020625254 (8.61058e-07% change)
- large trace change predicted (2.13468e-06%)
- linmin: converged after 3 iterations.
- iteration 51: trace = 6.329316885504944 (2.13483e-06% change)
- large trace change predicted (4.29494e-06%)
- linmin: converged after 5 iterations.
- iteration 52: trace = 6.329316613618884 (4.29566e-06% change)
- linmin: converged after 6 iterations.
- iteration 53: trace = 6.329316332917143 (4.43495e-06% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.329316191094067 (2.24073e-06% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 6.329316143739841 (7.48173e-07% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 6.329316126937146 (2.65474e-07% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 6.329316120029702 (1.09134e-07% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 6.329316116866351 (4.99794e-08% change)
- linmin: converged after 2 iterations.
- iteration 59: trace = 6.32931611541861 (2.28736e-08% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 6.3293161147542 (1.04973e-08% change)
- linmin: converged after 2 iterations.
- iteration 61: trace = 6.329316114257213 (7.85215e-09% change)
- linmin: converged after 12 iterations.
- iteration 62: trace = 6.329316113577727 (1.07355e-08% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 6.329316112502813 (1.69831e-08% change)
- linmin: converged after 6 iterations.
- iteration 64: trace = 6.329316111378638 (1.77614e-08% change)
- linmin: converged after 21 iterations.
- iteration 65: trace = 6.329316110808146 (9.01349e-09% change)
- linmin: converged after 9 iterations.
- iteration 66: trace = 6.32931611061163 (3.10486e-09% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 6.329316110525236 (1.36498e-09% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 6.329316110484315 (6.46532e-10% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 6.329316110466078 (2.88135e-10% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 6.32931611045862 (1.17819e-10% change)
- linmin: converged after 11 iterations.
- iteration 71: trace = 6.329316110451563 (1.11504e-10% change)
- linmin: converged after 6 iterations.
- iteration 72: trace = 6.329316110445914 (8.92484e-11% change)
-Finished solving for bands 1 to 8 after 72 iterations.
-tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498
-elapsed time for k point: 0.23686552047729492
-solve_kpoint (-0.266667,0.266667,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.392697535565415 (0.520011% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 6.375242987596106 (0.273412% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.370715448082573 (0.0710427% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.368209752404007 (0.0393392% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.366423965129089 (0.0280462% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.365418549486456 (0.0157937% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.364762760708476 (0.0103029% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 6.364505250070454 (0.00404596% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.36431449875261 (0.00299716% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.36418777225265 (0.00199122% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 6.364105952509211 (0.00128564% change)
- large trace change predicted (0.00305009%)
- linmin: converged after 10 iterations.
- iteration 12: trace = 6.363911985081294 (0.00304788% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 13: trace = 6.361499503685843 (0.037916% change)
- linmin: converged after 7 iterations.
- iteration 14: trace = 6.36027135349748 (0.0193078% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 6.359373322047383 (0.0141204% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 6.35855732958079 (0.0128322% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 6.357758965533478 (0.0125565% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 6.356950351663157 (0.0127193% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 6.356112163121015 (0.0131863% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 6.355221027897733 (0.0140211% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 6.354246279692957 (0.0153389% change)
- linmin: converged after 7 iterations.
- iteration 22: trace = 6.353159856642265 (0.0170991% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 6.351960899259382 (0.0188736% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 6.350699438134904 (0.0198614% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 6.349458077477557 (0.0195487% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 6.348291605894328 (0.0183729% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.34719789341557 (0.0172299% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.346140664692705 (0.016658% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 6.345081444270764 (0.0166922% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 6.343999288666795 (0.0170565% change)
- linmin: converged after 8 iterations.
- iteration 31: trace = 6.342898002201816 (0.017361% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 6.341800697171118 (0.0173012% change)
- linmin: converged after 7 iterations.
- iteration 33: trace = 6.340734205414506 (0.0168183% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 6.33971368572808 (0.016096% change)
- linmin: converged after 5 iterations.
- iteration 35: trace = 6.338736988232581 (0.0154072% change)
- linmin: converged after 6 iterations.
- iteration 36: trace = 6.337788381038601 (0.0149664% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 6.336845738992868 (0.0148745% change)
- linmin: converged after 6 iterations.
- iteration 38: trace = 6.335887564106003 (0.0151218% change)
- linmin: converged after 5 iterations.
- iteration 39: trace = 6.334899803119841 (0.0155912% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 6.333883398871754 (0.0160458% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 6.332860786517116 (0.0161464% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 6.331873878864389 (0.0155851% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 6.330966881367777 (0.0143253% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 6.330164357925478 (0.012677% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 6.329464426416618 (0.0110577% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 6.328847888420542 (0.00974124% change)
- linmin: converged after 5 iterations.
- iteration 47: trace = 6.32828988372113 (0.00881723% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 6.327766921089158 (0.00826423% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 6.327259864958589 (0.00801351% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 6.326755103975183 (0.00797788% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 6.326245117196401 (0.00806112% change)
- linmin: converged after 6 iterations.
- iteration 52: trace = 6.325728461773253 (0.00816719% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 6.325208588756622 (0.00821873% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.324691250215436 (0.00817933% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 6.324181374306374 (0.008062% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 6.323680907360477 (0.00791386% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 6.323188395290025 (0.00778868% change)
- linmin: converged after 5 iterations.
- iteration 58: trace = 6.322699858896263 (0.00772641% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 6.322210009625386 (0.00774777% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 6.321713097538986 (0.00786009% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 6.321203130511794 (0.00806724% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 6.320673555720772 (0.0083781% change)
- linmin: converged after 5 iterations.
- iteration 63: trace = 6.320116720804852 (0.00881013% change)
- linmin: converged after 6 iterations.
- iteration 64: trace = 6.319523559448256 (0.00938573% change)
- linmin: converged after 5 iterations.
- iteration 65: trace = 6.318884020578164 (0.0101206% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 6.318188804775419 (0.0110028% change)
- linmin: converged after 7 iterations.
- iteration 67: trace = 6.317432799520505 (0.0119663% change)
- linmin: converged after 7 iterations.
- iteration 68: trace = 6.316619714792608 (0.0128713% change)
- linmin: converged after 5 iterations.
- iteration 69: trace = 6.315765584707393 (0.0135229% change)
- resetting CG direction...
- large trace change predicted (0.188897%)
- linmin: converged after 4 iterations.
- iteration 70: trace = 6.303775215283887 (0.190029% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 6.30036008266891 (0.0541907% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 6.299320271825109 (0.0165054% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 6.299061190191026 (0.00411294% change)
- linmin: converged after 5 iterations.
- iteration 74: trace = 6.298946775233155 (0.0018164% change)
- linmin: converged after 7 iterations.
- iteration 75: trace = 6.298877894192596 (0.00109354% change)
- linmin: converged after 6 iterations.
- iteration 76: trace = 6.298793454107139 (0.00134057% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 6.298725861962364 (0.0010731% change)
- linmin: converged after 5 iterations.
- iteration 78: trace = 6.29868294733083 (0.000681325% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 6.298642217591597 (0.000646641% change)
- linmin: converged after 13 iterations.
- iteration 80: trace = 6.298616556646929 (0.000407405% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 6.298604027893521 (0.000198913% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 6.298598787140605 (8.3205e-05% change)
- linmin: converged after 10 iterations.
- iteration 83: trace = 6.298597356051435 (2.27208e-05% change)
- linmin: converged after 2 iterations.
- iteration 84: trace = 6.298596365659966 (1.5724e-05% change)
- linmin: converged after 5 iterations.
- iteration 85: trace = 6.298595760213274 (9.61241e-06% change)
- linmin: converged after 7 iterations.
- iteration 86: trace = 6.298595315608592 (7.05879e-06% change)
- linmin: converged after 12 iterations.
- iteration 87: trace = 6.298595099404392 (3.43258e-06% change)
- linmin: converged after 13 iterations.
- iteration 88: trace = 6.298595020053137 (1.25982e-06% change)
- linmin: converged after 4 iterations.
- iteration 89: trace = 6.298594974722617 (7.19693e-07% change)
- linmin: converged after 6 iterations.
- iteration 90: trace = 6.298594929358501 (7.20226e-07% change)
- linmin: converged after 13 iterations.
- iteration 91: trace = 6.298594895494825 (5.37639e-07% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 6.298594877349233 (2.8809e-07% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 6.298594868821886 (1.35385e-07% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 6.298594864524706 (6.82244e-08% change)
- linmin: converged after 4 iterations.
- iteration 95: trace = 6.298594862453187 (3.28886e-08% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 6.298594861905778 (8.69096e-09% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 6.298594861732249 (2.75505e-09% change)
- linmin: converged after 3 iterations.
- iteration 98: trace = 6.298594861685728 (7.38593e-10% change)
- linmin: converged after 3 iterations.
- iteration 99: trace = 6.298594861667213 (2.93954e-10% change)
- linmin: converged after 4 iterations.
- iteration 100: trace = 6.298594861658028 (1.45821e-10% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 6.298594861654125 (6.19607e-11% change)
-Finished solving for bands 1 to 8 after 101 iterations.
-tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591
-elapsed time for k point: 0.3312954902648926
-solve_kpoint (-0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.3065639871607 (0.575322% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 6.289554233350304 (0.270079% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 6.285540394320863 (0.0638379% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.283792833049898 (0.0278067% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.282960247915502 (0.0132506% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.282722744170227 (0.0037802% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.282637992351809 (0.00134898% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 6.282617671090315 (0.000323452% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 6.282612484408521 (8.25561e-05% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 6.282610016564448 (3.92805e-05% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 6.282609109449679 (1.44385e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.282608783832864 (5.18283e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 6.282608658505957 (1.99482e-06% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 6.282608607802806 (8.0704e-07% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 6.282608579576478 (4.49277e-07% change)
- linmin: converged after 10 iterations.
- iteration 16: trace = 6.282608566246182 (2.12178e-07% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 6.282608558481405 (1.23592e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 6.282608555131906 (5.33138e-08% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.282608553958246 (1.86811e-08% change)
- linmin: converged after 9 iterations.
- iteration 20: trace = 6.282608553518157 (7.00487e-09% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 6.282608553300057 (3.47149e-09% change)
- linmin: converged after 10 iterations.
- iteration 22: trace = 6.282608553188997 (1.76774e-09% change)
- linmin: converged after 10 iterations.
- iteration 23: trace = 6.282608553137478 (8.20022e-10% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 6.282608553118513 (3.01869e-10% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 6.282608553113039 (8.71269e-11% change)
-Finished solving for bands 1 to 8 after 25 iterations.
-tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367
-elapsed time for k point: 0.0837395191192627
-solve_kpoint (-0.133333,0.133333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.31797506784811 (0.565733% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.302973191720346 (0.23773% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.299244438394495 (0.0591761% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 6.297766221419135 (0.0234693% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.297098741183586 (0.0105992% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 6.296927857601 (0.00271372% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.296859980232965 (0.00107795% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 6.296840480940125 (0.000309667% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 6.296835118565341 (8.51598e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.296832556246112 (4.06922e-05% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 6.296831447029666 (1.76155e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.296831011555438 (6.91577e-06% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.296830859588107 (2.41339e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 6.296830816318607 (6.87163e-07% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 6.296830799715155 (2.63679e-07% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 6.296830794163726 (8.81623e-08% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 6.296830791811519 (3.73554e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 6.296830790795286 (1.61388e-08% change)
- linmin: converged after 23 iterations.
- iteration 19: trace = 6.296830790487538 (4.88734e-09% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 6.296830790381245 (1.68805e-09% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 6.296830790332558 (7.73189e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.29683079030516 (4.35116e-10% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 6.296830790293803 (1.80363e-10% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 6.296830790289759 (6.42208e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734
-elapsed time for k point: 0.08029937744140625
-solve_kpoint (-0.0666667,0.0666667,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.373209112052805 (0.562684% change)
- linmin: converged after 10 iterations.
- iteration 2: trace = 6.36031616157883 (0.202504% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.357504912907773 (0.0442096% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 6.356585097729216 (0.0144692% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 6.35623283030905 (0.00554193% change)
- linmin: converged after 15 iterations.
- iteration 6: trace = 6.356142086163289 (0.00142765% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 6.356092254702443 (0.000783992% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 6.356067894803361 (0.000383253% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 6.356057959423483 (0.000156313% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 6.356053442445841 (7.10657e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.356051425803924 (3.17279e-05% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 6.35605045638662 (1.52519e-05% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.356050073440102 (6.02491e-06% change)
- linmin: converged after 21 iterations.
- iteration 14: trace = 6.356049967376739 (1.6687e-06% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.356049919529158 (7.52788e-07% change)
- linmin: converged after 13 iterations.
- iteration 16: trace = 6.35604990138872 (2.85404e-07% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.35604989273501 (1.36149e-07% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 6.356049887839807 (7.70164e-08% change)
- linmin: converged after 16 iterations.
- iteration 19: trace = 6.356049885346999 (3.92194e-08% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.356049883857857 (2.34287e-08% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 6.356049883361589 (7.8078e-09% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 6.356049883209118 (2.39883e-09% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.356049883160938 (7.5802e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.356049883141617 (3.03971e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.356049883134011 (1.19671e-10% change)
- linmin: converged after 20 iterations.
- iteration 26: trace = 6.356049883130346 (5.76557e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885
-elapsed time for k point: 0.08722400665283203
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.484406768763917 (0.576704% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 6.471730173735265 (0.195685% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.469268167064959 (0.0380497% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.468362479663552 (0.0140008% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.468081016952982 (0.00435147% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.468019507054105 (0.000950981% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.467983140882891 (0.000562247% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 6.467960050007157 (0.000357003% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.467927172636435 (0.000508313% change)
- linmin: converged after 13 iterations.
- iteration 10: trace = 6.467898270580527 (0.000446853% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 6.467871940836138 (0.000407084% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 6.467850751198391 (0.000327614% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 6.46783573451671 (0.000232174% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 6.467812737194985 (0.000355565% change)
- large trace change predicted (0.000926251%)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.467752878038727 (0.000925497% change)
- large trace change predicted (0.00336724%)
- linmin: converged after 6 iterations.
- iteration 16: trace = 6.46753799228928 (0.00332247% change)
- large trace change predicted (0.0076428%)
- linmin: converged after 6 iterations.
- iteration 17: trace = 6.467054240854877 (0.00747996% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 6.466680782267455 (0.00577495% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 6.466506550440609 (0.00269434% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.466437876282423 (0.001062% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 6.466417072559437 (0.000321719% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.466410918626344 (9.51676e-05% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.466409279496674 (2.53484e-05% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.466408508486158 (1.19233e-05% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 6.466407804621172 (1.08849e-05% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 6.466407055854146 (1.15793e-05% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 6.466406660048698 (6.12095e-06% change)
- linmin: converged after 22 iterations.
- iteration 28: trace = 6.466406474881694 (2.86352e-06% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 6.466406394954898 (1.23603e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 6.46640636439996 (4.72518e-07% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 6.466406353483286 (1.68821e-07% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.466406348127093 (8.28311e-08% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 6.466406341479104 (1.02808e-07% change)
- large trace change predicted (2.07292e-07%)
- linmin: converged after 2 iterations.
- iteration 34: trace = 6.466406328074751 (2.07292e-07% change)
- large trace change predicted (4.92859e-07%)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.466406296204647 (4.92857e-07% change)
- large trace change predicted (1.36404e-06%)
- linmin: converged after 5 iterations.
- iteration 36: trace = 6.466406207999212 (1.36406e-06% change)
- large trace change predicted (3.01548e-06%)
- linmin: converged after 5 iterations.
- iteration 37: trace = 6.46640601299846 (3.0156e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 6.466405814967287 (3.06246e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 6.466405733805704 (1.25513e-06% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 6.466405707718298 (4.0343e-07% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 6.466405697281509 (1.614e-07% change)
- linmin: converged after 13 iterations.
- iteration 42: trace = 6.466405689115234 (1.26288e-07% change)
- linmin: converged after 2 iterations.
- iteration 43: trace = 6.466405679855011 (1.43205e-07% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 6.46640567344509 (9.91265e-08% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 6.46640566942723 (6.21344e-08% change)
- linmin: converged after 2 iterations.
- iteration 46: trace = 6.466405667382235 (3.16249e-08% change)
- linmin: converged after 2 iterations.
- iteration 47: trace = 6.466405666183872 (1.85321e-08% change)
- linmin: converged after 2 iterations.
- iteration 48: trace = 6.466405665511933 (1.03912e-08% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 6.466405664657936 (1.32067e-08% change)
- large trace change predicted (3.62453e-08%)
- linmin: converged after 19 iterations.
- iteration 50: trace = 6.46640566231416 (3.62454e-08% change)
- large trace change predicted (1.23507e-07%)
- linmin: converged after 2 iterations.
- iteration 51: trace = 6.466405654327716 (1.23507e-07% change)
- large trace change predicted (2.49094e-07%)
- linmin: converged after 2 iterations.
- iteration 52: trace = 6.466405638220102 (2.49097e-07% change)
- linmin: converged after 15 iterations.
- iteration 53: trace = 6.46640561690482 (3.29631e-07% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.466405589348653 (4.26143e-07% change)
- linmin: converged after 17 iterations.
- iteration 55: trace = 6.466405565244271 (3.72763e-07% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 6.466405553442849 (1.82504e-07% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 6.466405548893452 (7.03543e-08% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 6.466405546942659 (3.01681e-08% change)
- linmin: converged after 2 iterations.
- iteration 59: trace = 6.466405546067048 (1.35409e-08% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 6.466405545765806 (4.65856e-09% change)
- linmin: converged after 5 iterations.
- iteration 61: trace = 6.466405545618406 (2.27948e-09% change)
- linmin: converged after 2 iterations.
- iteration 62: trace = 6.466405545535219 (1.28645e-09% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 6.466405545465581 (1.07691e-09% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 6.466405545408771 (8.78549e-10% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 6.466405545374389 (5.31692e-10% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 6.46640554535702 (2.68607e-10% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 6.466405545351025 (9.27131e-11% change)
-Finished solving for bands 2 to 8 after 67 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334
-.elapsed time for k point: 0.18237018585205078
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 2 range: 0.5203183590840947 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454924 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.5763358596513126 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618369 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.8161730293674935 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140956 at Vector3<0.0, 0.0, 0.0>
-Band 5 range: 0.8385562359606974 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.922084942589803 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 1.0168656683915518 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418322 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 7 range: 1.0184507253059405 at Vector3<0.0, 0.0, 0.0> to 1.159370227370717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 8 range: 1.1636719050364357 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839871045 at Vector3<0.0, 0.0, 0.0>
-Gap from band 3 (0.7880878930618369) to band 4 (0.8161730293674935), 3.501317761094284%
-Gap from band 5 (0.922084942589803) to band 6 (1.0168656683915518), 9.776497169649693%
-Gap from band 7 (1.159370227370717) to band 8 (1.1636719050364357), 0.37034865667815786%
-total elapsed time for run: 2.260265350341797
-done
-/tmp/meepg15Lzl/test_honey_rods-0: 3.42s
-
-/tmp/meepg15Lzl/test_line_defect-0
-========================
-Initializing eigensolver data
-Computing 12 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 224 x 1.
-Solving for 6 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (0.866025, 0.5, 0)
- (6.06218, -3.5, 0)
- (0, 0, 1)
-Cell volume = 6.06218
-Reciprocal lattice vectors (/ 2 pi):
- (0.57735, 1, -0)
- (0.0824786, -0.142857, 0)
- (-0, 0, 1)
-Geometric objects:
- cylinder, center = (0,3,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-3,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 3 and 9 object nodes (vs. 8 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-6 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.10000000000000005, 0.3500000000000001, 0.0>
- Vector3<0.2000000000000001, 0.7000000000000002, 0.0>
- Vector3<0.30000000000000016, 1.0500000000000003, 0.0>
- Vector3<0.4000000000000002, 1.4000000000000004, 0.0>
- Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
-elapsed time for initialization: 0.012317180633544922
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12
-Solving for bands 2 to 7...
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 1: trace = 1.196766755531371 (199.611% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 0.3074317174581362 (118.247% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 0.2844524853025028 (7.76477% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.2812371807197147 (1.13677% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 0.2805321379624338 (0.251008% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.2804620372438204 (0.0249916% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.2804497808436873 (0.00437017% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.2804487080528694 (0.000382526% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.2804485287729162 (6.39261e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.2804485117540451 (6.06845e-06% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 0.2804485091314656 (9.35138e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 0.2804485089210546 (7.50266e-08% change)
- linmin: converged after 8 iterations.
- iteration 13: trace = 0.2804485089016316 (6.92566e-09% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 0.2804485088974183 (1.50234e-09% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 0.280448508897056 (1.29213e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.2804485088969927 (2.25648e-11% change)
-Finished solving for bands 2 to 7 after 16 iterations.
-Solving for bands 8 to 12...
- near maximum in trace
- linmin: converged after 9 iterations.
- iteration 1: trace = 5.347589494002308 (197.909% change)
- linmin: converged after 8 iterations.
- iteration 2: trace = 1.508143754927554 (112.007% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.308852038496591 (14.1492% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 1.247987481329314 (4.76092% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 1.226166609693982 (1.76391% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.220205207652076 (0.487367% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 1.218622738880585 (0.129773% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 1.217964901842141 (0.0539966% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.217640474833321 (0.0266404% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 1.217144671073517 (0.0407267% change)
- large trace change predicted (0.10801%)
- linmin: converged after 6 iterations.
- iteration 11: trace = 1.215926777209398 (0.100112% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 1.21494306055586 (0.0809354% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.214347551188201 (0.0490274% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 1.213914363082433 (0.0356789% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 1.213500547607448 (0.0340952% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 1.212959722484555 (0.0445773% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 1.212519538880448 (0.0362966% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 1.212248726511907 (0.0223372% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 1.212140684769636 (0.0089129% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 1.21209965011612 (0.00338536% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 1.212045003915321 (0.00450849% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 1.211966020314501 (0.00651677% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 1.211907378935235 (0.00483865% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 1.211861221840146 (0.0038087% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 1.211829202049092 (0.00264223% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 1.21180954111795 (0.00162243% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 1.211778805378119 (0.00253638% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 1.211738643161125 (0.00331437% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 1.211698946648681 (0.00327605% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 1.211675291898183 (0.00195222% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 1.211662280999265 (0.0010738% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 1.211643382935975 (0.00155969% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 1.21162659993771 (0.00138515% change)
- linmin: converged after 6 iterations.
- iteration 34: trace = 1.21161407808561 (0.00103348% change)
- linmin: converged after 9 iterations.
- iteration 35: trace = 1.211602453572232 (0.000959428% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 1.211598303616196 (0.000342519% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 1.211596448980703 (0.000153074% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 1.211594613228861 (0.000151515% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 1.211592534410096 (0.000171577% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 1.211590947234652 (0.000130999% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 1.211590215638785 (6.03831e-05% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 1.211589891729974 (2.67342e-05% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 1.211589741312141 (1.24149e-05% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 1.211589683153448 (4.8002e-06% change)
- linmin: converged after 2 iterations.
- iteration 45: trace = 1.211589639031559 (3.64165e-06% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 1.211589594611466 (3.66627e-06% change)
- linmin: converged after 2 iterations.
- iteration 47: trace = 1.211589568398538 (2.16352e-06% change)
- linmin: converged after 2 iterations.
- iteration 48: trace = 1.211589556366786 (9.93055e-07% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 1.211589549124783 (5.97727e-07% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 1.211589544167536 (4.09152e-07% change)
- linmin: converged after 2 iterations.
- iteration 51: trace = 1.211589539501808 (3.85091e-07% change)
- linmin: converged after 2 iterations.
- iteration 52: trace = 1.211589533344353 (5.08213e-07% change)
- linmin: converged after 2 iterations.
- iteration 53: trace = 1.2115895245724 (7.24004e-07% change)
- linmin: converged after 2 iterations.
- iteration 54: trace = 1.211589518683372 (4.86058e-07% change)
- linmin: converged after 2 iterations.
- iteration 55: trace = 1.211589515923037 (2.27828e-07% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 1.211589512935396 (2.46589e-07% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 1.211589509905531 (2.50074e-07% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 1.211589507242201 (2.19821e-07% change)
- linmin: converged after 2 iterations.
- iteration 59: trace = 1.211589504813927 (2.00421e-07% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 1.211589503458421 (1.11878e-07% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 1.211589502828578 (5.19848e-08% change)
- linmin: converged after 24 iterations.
- iteration 62: trace = 1.211589502438186 (3.22214e-08% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 1.211589502003778 (3.58544e-08% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 1.211589501370286 (5.2286e-08% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 1.211589501031969 (2.79234e-08% change)
- linmin: converged after 2 iterations.
- iteration 66: trace = 1.211589500878294 (1.26838e-08% change)
- linmin: converged after 18 iterations.
- iteration 67: trace = 1.211589500792745 (7.06086e-09% change)
- linmin: converged after 2 iterations.
- iteration 68: trace = 1.211589500767784 (2.06018e-09% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 1.211589500755964 (9.75586e-10% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 70: trace = 1.211589500751477 (3.7031e-10% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 1.211589500746379 (4.20745e-10% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 1.21158950073995 (5.3065e-10% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 1.211589500735595 (3.59424e-10% change)
- linmin: converged after 15 iterations.
- iteration 74: trace = 1.211589500732076 (2.90515e-10% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 1.211589500730084 (1.64409e-10% change)
- linmin: converged after 11 iterations.
- iteration 76: trace = 1.211589500729295 (6.50599e-11% change)
-Finished solving for bands 8 to 12 after 76 iterations.
-Finished k-point with 39.6667 mean iterations/band.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123
-elapsed time for k point: 2.0528016090393066
-Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0
-Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443
-Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694
-Fixing e-field (band 4) phase by -0.042412 + 0.9991i; max ampl. = 0.40619
-Fixing e-field (band 5) phase by -0.829535 + -0.558455i; max ampl. = 0.458526
-Fixing e-field (band 6) phase by -0.636619 + -0.771179i; max ampl. = 0.461015
-Fixing e-field (band 7) phase by -0.696974 + 0.717096i; max ampl. = 0.87849
-Fixing e-field (band 8) phase by -0.801423 + 0.598098i; max ampl. = 0.582082
-Fixing e-field (band 9) phase by 0.502154 + -0.864778i; max ampl. = 0.503748
-Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872
-Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048
-Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b01.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b02.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b03.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b04.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b05.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b06.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b07.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b08.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b09.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b10.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b11.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k01.b12.z.tm.h5...
-solve_kpoint (0.1,0.35,0):
-Solving for bands 1 to 6...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.1859754481091571 (4.37841% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1858559071650498 (0.0642985% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1858523719592242 (0.00190214% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.1858522794619532 (4.97692e-05% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.1858522774470825 (1.08412e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.1858522773945271 (2.8278e-08% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.1858522773930405 (7.99891e-10% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.1858522773929406 (5.37482e-11% change)
-Finished solving for bands 1 to 6 after 8 iterations.
-Solving for bands 7 to 12...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.339583206387591 (1.2622% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 1.33063762646289 (0.670025% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.326359143522661 (0.322054% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 1.324059417054412 (0.173537% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 1.322335659994526 (0.130272% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.321900842351137 (0.032888% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.321789582191756 (0.00841703% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.321750554891683 (0.00295265% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.321739521847602 (0.000834733% change)
- linmin: converged after 7 iterations.
- iteration 10: trace = 1.321725729409737 (0.00104351% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 1.321717827626583 (0.00059784% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 1.32171560796717 (0.000167938% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 1.321714313062121 (9.79716e-05% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 1.321713670509397 (4.86151e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 1.32171316783871 (3.80317e-05% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 1.321712690347692 (3.61267e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 1.321712534925773 (1.17591e-05% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 1.32171245068789 (6.37339e-06% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 1.321712392022149 (4.43862e-06% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 1.321712300288242 (6.94053e-06% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 1.321712123338643 (1.33879e-05% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 1.321712019292177 (7.8721e-06% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 1.321711840507829 (1.35267e-05% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 1.321711646564235 (1.46737e-05% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 1.321711536307098 (8.342e-06% change)
- linmin: converged after 15 iterations.
- iteration 26: trace = 1.32171148827869 (3.6338e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.321711471300697 (1.28455e-06% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 1.321711467138154 (3.14936e-07% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 1.321711466116505 (7.72975e-08% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 1.321711465723412 (2.97412e-08% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.321711465580959 (1.07779e-08% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 1.321711465510915 (5.29947e-09% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 1.321711465480889 (2.27175e-09% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 1.321711465470897 (7.55973e-10% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 1.321711465466495 (3.33089e-10% change)
- linmin: converged after 8 iterations.
- iteration 36: trace = 1.32171146546497 (1.15398e-10% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 1.321711465463821 (8.68885e-11% change)
-Finished solving for bands 7 to 12 after 37 iterations.
-Finished k-point with 22.5 mean iterations/band.
-tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413
-elapsed time for k point: 1.4191670417785645
-Fixing e-field (band 1) phase by -1 + 2.71695e-09i; max ampl. = 0.279221
-Fixing e-field (band 2) phase by 0.066234 + 0.997804i; max ampl. = 0.368961
-Fixing e-field (band 3) phase by 1 + -3.08291e-07i; max ampl. = 0.357513
-Fixing e-field (band 4) phase by -0.00791593 + -0.999969i; max ampl. = 0.410959
-Fixing e-field (band 5) phase by -1 + 1.15887e-06i; max ampl. = 0.464942
-Fixing e-field (band 6) phase by 0.000719579 + 1i; max ampl. = 0.463983
-Fixing e-field (band 7) phase by 1 + 1.05398e-08i; max ampl. = 0.893105
-Fixing e-field (band 8) phase by -1 + 4.80899e-06i; max ampl. = 0.585113
-Fixing e-field (band 9) phase by 2.4463e-05 + -1i; max ampl. = 0.51118
-Fixing e-field (band 10) phase by 1 + 8.06478e-05i; max ampl. = 0.50134
-Fixing e-field (band 11) phase by 2.03316e-05 + 1i; max ampl. = 0.518018
-Fixing e-field (band 12) phase by -0.000314817 + -1i; max ampl. = 0.377816
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b01.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b02.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b03.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b04.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b05.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b06.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b07.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b08.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b09.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b10.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b11.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k02.b12.z.tm.h5...
-solve_kpoint (0.2,0.7,0):
-Solving for bands 1 to 6...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.2388580307782937 (6.66113% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.2385221713841857 (0.140709% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.2385114100977178 (0.00451175% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 0.2385111473622856 (0.000110156% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2385111400807255 (3.05292e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.2385111399219119 (6.65854e-08% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.2385111399179209 (1.6733e-09% change)
- linmin: converged after 16 iterations.
- iteration 8: trace = 0.2385111399178055 (4.83867e-11% change)
-Finished solving for bands 1 to 6 after 8 iterations.
-Solving for bands 7 to 12...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.328636670014931 (1.75254% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 1.320923404607837 (0.58223% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.318308076151315 (0.198189% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.317956425802998 (0.0266779% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.317882727769513 (0.005592% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 1.317830321381881 (0.00397664% change)
- linmin: converged after 21 iterations.
- iteration 7: trace = 1.317816402663161 (0.00105619% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 1.317806033886662 (0.000786818% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.317799113944952 (0.000525112% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 1.317797254181904 (0.000141127% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 1.317796412532883 (6.38679e-05% change)
- linmin: converged after 11 iterations.
- iteration 12: trace = 1.317796108435783 (2.30762e-05% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 1.317796055321211 (4.03056e-06% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 1.317796024477034 (2.34059e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 1.317796013257453 (8.5139e-07% change)
- linmin: converged after 23 iterations.
- iteration 16: trace = 1.317796004201295 (6.8722e-07% change)
- large trace change predicted (1.71406e-06%)
- linmin: converged after 3 iterations.
- iteration 17: trace = 1.317795981613608 (1.71405e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 1.317795944624388 (2.8069e-06% change)
- large trace change predicted (6.37234e-06%)
- linmin: converged after 8 iterations.
- iteration 19: trace = 1.317795860651614 (6.37221e-06% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 1.317795777380738 (6.31895e-06% change)
- linmin: converged after 32 iterations.
- iteration 21: trace = 1.317795748000609 (2.22949e-06% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 1.317795733123444 (1.12894e-06% change)
- linmin: converged after 6 iterations.
- iteration 23: trace = 1.317795727441454 (4.31174e-07% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.317795724798878 (2.0053e-07% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.317795723846541 (7.22674e-08% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 1.317795723608524 (1.80617e-08% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.317795723503125 (7.99815e-09% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 1.31779572343886 (4.87671e-09% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 1.317795723419225 (1.48995e-09% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 1.317795723411641 (5.75501e-10% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.317795723409147 (1.89273e-10% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 1.317795723408442 (5.35315e-11% change)
-Finished solving for bands 7 to 12 after 32 iterations.
-Finished k-point with 20 mean iterations/band.
-tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423
-elapsed time for k point: 1.2652592658996582
-Fixing e-field (band 1) phase by 1 + -6.69684e-16i; max ampl. = 0.316626
-Fixing e-field (band 2) phase by 1.41132e-11 + 1i; max ampl. = 0.383063
-Fixing e-field (band 3) phase by 1 + -1.03294e-14i; max ampl. = 0.3761
-Fixing e-field (band 4) phase by -8.77229e-10 + -1i; max ampl. = 0.424925
-Fixing e-field (band 5) phase by 1 + 1.3145e-13i; max ampl. = 0.480327
-Fixing e-field (band 6) phase by 4.91261e-10 + -1i; max ampl. = 0.472091
-Fixing e-field (band 7) phase by 1 + -1.06369e-12i; max ampl. = 0.919529
-Fixing e-field (band 8) phase by -1 + -1.64856e-11i; max ampl. = 0.593898
-Fixing e-field (band 9) phase by 1.07569e-07 + 1i; max ampl. = 0.521242
-Fixing e-field (band 10) phase by -1 + 3.83354e-10i; max ampl. = 0.454743
-Fixing e-field (band 11) phase by 4.75025e-08 + 1i; max ampl. = 0.493615
-Fixing e-field (band 12) phase by -1.939e-06 + -1i; max ampl. = 0.473136
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b01.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b02.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b03.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b04.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b05.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b06.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b07.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b08.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b09.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b10.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b11.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k03.b12.z.tm.h5...
-solve_kpoint (0.3,1.05,0):
-Solving for bands 1 to 6...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.3105199359398265 (8.73919% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.3098465068863809 (0.217107% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.3098220243218767 (0.00790183% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.3098213546274155 (0.000216155% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.3098213374848054 (5.53306e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.3098213371379585 (1.11951e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.3098213371286766 (2.99587e-09% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.3098213371284358 (7.77246e-11% change)
-Finished solving for bands 1 to 6 after 8 iterations.
-Solving for bands 7 to 12...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.321059189060651 (2.52198% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 1.312228993706477 (0.670659% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.308669436105089 (0.271629% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 1.307528168194402 (0.0872463% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.307108376361817 (0.0321109% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.306967612816993 (0.0107697% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.30692104687625 (0.00356296% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 1.306903167954464 (0.00136803% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.306896582410012 (0.000503906% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 1.306894468922138 (0.000161718% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 1.306893729338946 (5.65909e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 1.306893106680217 (4.76442e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 1.306892656103195 (3.4477e-05% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 1.306892370720252 (2.18368e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 1.306892063537916 (2.35048e-05% change)
- linmin: converged after 9 iterations.
- iteration 16: trace = 1.306891774918915 (2.20844e-05% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 1.306891306571564 (3.58367e-05% change)
- large trace change predicted (0.0001439%)
- linmin: converged after 4 iterations.
- iteration 18: trace = 1.306889428974656 (0.000143669% change)
- large trace change predicted (0.000647089%)
- linmin: converged after 6 iterations.
- iteration 19: trace = 1.306881342171474 (0.000618784% change)
- near maximum in trace
- linmin: converged after 11 iterations.
- iteration 20: trace = 1.306841864904205 (0.00302077% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 1.306814317233515 (0.00210798% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 1.306780215571889 (0.00260956% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 1.306736702748669 (0.00332983% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 1.306707761476099 (0.0022148% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 1.306694949828091 (0.000980457% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 1.30668757171687 (0.000564641% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 1.306683169654682 (0.000336888% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 1.306680460975612 (0.000207294% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 1.306678613935068 (0.000141354% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 1.306677292065234 (0.000101163% change)
- linmin: converged after 6 iterations.
- iteration 31: trace = 1.306676263755384 (7.86966e-05% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 1.306675403278145 (6.58524e-05% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 1.306674672970374 (5.58905e-05% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 1.306674108884319 (4.31696e-05% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 1.306673737709854 (2.84061e-05% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 1.306673513940721 (1.71251e-05% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 1.306673362527367 (1.15877e-05% change)
- linmin: converged after 9 iterations.
- iteration 38: trace = 1.306673228425955 (1.02628e-05% change)
- linmin: converged after 5 iterations.
- iteration 39: trace = 1.306673109717042 (9.08482e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 1.306673026782846 (6.34697e-06% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 1.306672971288233 (4.24702e-06% change)
- linmin: converged after 6 iterations.
- iteration 42: trace = 1.306672931203616 (3.06769e-06% change)
- linmin: converged after 9 iterations.
- iteration 43: trace = 1.306672900421495 (2.35576e-06% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 1.306672873955922 (2.02542e-06% change)
- linmin: converged after 8 iterations.
- iteration 45: trace = 1.306672849955027 (1.83679e-06% change)
- linmin: converged after 2 iterations.
- iteration 46: trace = 1.306672828035896 (1.67748e-06% change)
- linmin: converged after 21 iterations.
- iteration 47: trace = 1.306672808497717 (1.49526e-06% change)
- linmin: converged after 9 iterations.
- iteration 48: trace = 1.306672792920187 (1.19215e-06% change)
- linmin: converged after 2 iterations.
- iteration 49: trace = 1.30667278073184 (9.32777e-07% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 1.306672769623505 (8.50124e-07% change)
- linmin: converged after 5 iterations.
- iteration 51: trace = 1.30667275827252 (8.68694e-07% change)
- linmin: converged after 8 iterations.
- iteration 52: trace = 1.306672746664947 (8.88331e-07% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 1.306672734231314 (9.51549e-07% change)
- linmin: converged after 6 iterations.
- iteration 54: trace = 1.306672719747275 (1.10847e-06% change)
- linmin: converged after 8 iterations.
- iteration 55: trace = 1.306672703451232 (1.24714e-06% change)
- linmin: converged after 2 iterations.
- iteration 56: trace = 1.306672685743829 (1.35515e-06% change)
- linmin: converged after 5 iterations.
- iteration 57: trace = 1.306672664172661 (1.65085e-06% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 1.306672633622723 (2.33799e-06% change)
- linmin: converged after 13 iterations.
- iteration 59: trace = 1.306672591449286 (3.22754e-06% change)
- linmin: converged after 15 iterations.
- iteration 60: trace = 1.306672545946202 (3.48236e-06% change)
- linmin: converged after 6 iterations.
- iteration 61: trace = 1.306672503494355 (3.24885e-06% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 1.306672460331878 (3.30324e-06% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 1.306672416045949 (3.38921e-06% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 1.306672371448651 (3.41304e-06% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 1.306672322019688 (3.78281e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 1.306672266767598 (4.22846e-06% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 1.306672213731368 (4.05888e-06% change)
- linmin: converged after 9 iterations.
- iteration 68: trace = 1.306672169731838 (3.3673e-06% change)
- linmin: converged after 5 iterations.
- iteration 69: trace = 1.306672130569276 (2.99712e-06% change)
- resetting CG direction...
- large trace change predicted (6.25477e-06%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 1.306672048840626 (6.25472e-06% change)
- linmin: converged after 2 iterations.
- iteration 71: trace = 1.306672012693929 (2.76632e-06% change)
- linmin: converged after 2 iterations.
- iteration 72: trace = 1.306672000098197 (9.63955e-07% change)
- linmin: converged after 2 iterations.
- iteration 73: trace = 1.306671995811054 (3.28096e-07% change)
- linmin: converged after 2 iterations.
- iteration 74: trace = 1.306671993004206 (2.14809e-07% change)
- linmin: converged after 2 iterations.
- iteration 75: trace = 1.306671990402459 (1.99112e-07% change)
- linmin: converged after 2 iterations.
- iteration 76: trace = 1.306671989145292 (9.62114e-08% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 1.306671988469853 (5.16916e-08% change)
- linmin: converged after 2 iterations.
- iteration 78: trace = 1.306671987976323 (3.777e-08% change)
- linmin: converged after 3 iterations.
- iteration 79: trace = 1.306671987242599 (5.61521e-08% change)
- large trace change predicted (1.12943e-07%)
- linmin: converged after 3 iterations.
- iteration 80: trace = 1.306671985766801 (1.12943e-07% change)
- large trace change predicted (2.49995e-07%)
- linmin: converged after 3 iterations.
- iteration 81: trace = 1.306671982500196 (2.49994e-07% change)
- large trace change predicted (5.4192e-07%)
- linmin: converged after 13 iterations.
- iteration 82: trace = 1.306671975419139 (5.41915e-07% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 1.306671966776745 (6.61405e-07% change)
- linmin: converged after 24 iterations.
- iteration 84: trace = 1.306671961713351 (3.87503e-07% change)
- linmin: converged after 8 iterations.
- iteration 85: trace = 1.306671959299024 (1.84769e-07% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 1.306671956817022 (1.89948e-07% change)
- linmin: converged after 2 iterations.
- iteration 87: trace = 1.30667195512776 (1.2928e-07% change)
- linmin: converged after 4 iterations.
- iteration 88: trace = 1.306671954377645 (5.74065e-08% change)
- linmin: converged after 11 iterations.
- iteration 89: trace = 1.306671954035937 (2.6151e-08% change)
- linmin: converged after 2 iterations.
- iteration 90: trace = 1.306671953899616 (1.04327e-08% change)
- linmin: converged after 2 iterations.
- iteration 91: trace = 1.306671953836784 (4.80857e-09% change)
- linmin: converged after 2 iterations.
- iteration 92: trace = 1.306671953798474 (2.93184e-09% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 1.306671953790935 (5.76951e-10% change)
- linmin: converged after 3 iterations.
- iteration 94: trace = 1.306671953788971 (1.50355e-10% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 1.306671953788115 (6.55086e-11% change)
-Finished solving for bands 7 to 12 after 95 iterations.
-Finished k-point with 51.5 mean iterations/band.
-tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567
-elapsed time for k point: 3.3021631240844727
-Fixing e-field (band 1) phase by 1 + -8.43945e-17i; max ampl. = 0.362092
-Fixing e-field (band 2) phase by -7.36728e-12 + -1i; max ampl. = 0.407764
-Fixing e-field (band 3) phase by -1 + -1.0166e-15i; max ampl. = 0.420136
-Fixing e-field (band 4) phase by 7.50961e-12 + 1i; max ampl. = 0.446788
-Fixing e-field (band 5) phase by 1 + 2.94128e-15i; max ampl. = 0.496332
-Fixing e-field (band 6) phase by -9.24666e-12 + 1i; max ampl. = 0.481878
-Fixing e-field (band 7) phase by 1 + 2.60727e-13i; max ampl. = 0.896831
-Fixing e-field (band 8) phase by 1.09737e-10 + -1i; max ampl. = 0.458802
-Fixing e-field (band 9) phase by -1 + -1.96696e-11i; max ampl. = 0.495105
-Fixing e-field (band 10) phase by 1 + -2.47558e-12i; max ampl. = 0.483552
-Fixing e-field (band 11) phase by -9.51712e-12 + 1i; max ampl. = 0.523494
-Fixing e-field (band 12) phase by -1 + -7.63476e-11i; max ampl. = 0.423458
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b01.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b02.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b03.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b04.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b05.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b06.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b07.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b08.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b09.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b10.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b11.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k04.b12.z.tm.h5...
-solve_kpoint (0.4,1.4,0):
-Solving for bands 1 to 6...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.3762985016867429 (10.9545% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.3750342117371676 (0.336546% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.3749816076769493 (0.0140275% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.3749802749522109 (0.000355411% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.3749802409984997 (9.0548e-06% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.3749802404009222 (1.59362e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.374980240382886 (4.8099e-09% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.3749802403822894 (1.59096e-10% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 0.3749802403822776 (3.1532e-12% change)
-Finished solving for bands 1 to 6 after 9 iterations.
-Solving for bands 7 to 12...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.298011037461321 (3.05087% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 1.290256309342349 (0.599222% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.288297984129212 (0.151893% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.2878772301764 (0.032665% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.287688339079885 (0.0146679% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.287483849723766 (0.0158816% change)
- large trace change predicted (0.0565887%)
- linmin: converged after 7 iterations.
- iteration 7: trace = 1.28685287243285 (0.0490206% change)
- large trace change predicted (1.10957%)
- linmin: converged after 8 iterations.
- iteration 8: trace = 1.285207985881854 (0.127904% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 1.283531768705405 (0.130509% change)
- linmin: converged after 9 iterations.
- iteration 10: trace = 1.280537500864398 (0.233556% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 1.277572726481115 (0.231794% change)
- linmin: converged after 7 iterations.
- iteration 12: trace = 1.27563734746484 (0.151604% change)
- linmin: converged after 7 iterations.
- iteration 13: trace = 1.274202245367086 (0.112564% change)
- linmin: converged after 7 iterations.
- iteration 14: trace = 1.273022593346836 (0.0926225% change)
- linmin: converged after 8 iterations.
- iteration 15: trace = 1.272080215540049 (0.0740542% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 1.271347536034896 (0.0576135% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 1.270883530901358 (0.0365038% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 1.270618409224059 (0.0208634% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 1.270378371119911 (0.0188932% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 1.270104933606682 (0.0215264% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 1.269895617099838 (0.0164816% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 1.269782882629827 (0.00887785% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 1.269719750601914 (0.004972% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 1.269676766106199 (0.00338541% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 1.269642283512467 (0.00271589% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 1.269619087274533 (0.00182701% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 1.269607472587991 (0.000914821% change)
- linmin: converged after 8 iterations.
- iteration 28: trace = 1.269600759456913 (0.000528758% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 1.269595125006646 (0.000443798% change)
- linmin: converged after 9 iterations.
- iteration 30: trace = 1.269590376565027 (0.000374013% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 1.269587297957729 (0.000242489% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 1.269585545816303 (0.000138009% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 1.269584427090121 (8.81175e-05% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 1.269583608532466 (6.44745e-05% change)
- linmin: converged after 5 iterations.
- iteration 35: trace = 1.269583043842748 (4.44784e-05% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 1.269582710117841 (2.62862e-05% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 1.269582517553401 (1.51675e-05% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 1.269582385116398 (1.04315e-05% change)
- linmin: converged after 11 iterations.
- iteration 39: trace = 1.269582283098437 (8.03555e-06% change)
- linmin: converged after 6 iterations.
- iteration 40: trace = 1.269582214888568 (5.37262e-06% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 1.269582174660363 (3.16862e-06% change)
- linmin: converged after 12 iterations.
- iteration 42: trace = 1.269582148208323 (2.08352e-06% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 1.269582127622132 (1.62149e-06% change)
- linmin: converged after 2 iterations.
- iteration 44: trace = 1.269582111947448 (1.23463e-06% change)
- linmin: converged after 2 iterations.
- iteration 45: trace = 1.269582102245771 (7.64163e-07% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 1.26958209678698 (4.29968e-07% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 1.269582093349534 (2.70754e-07% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 1.269582091147356 (1.73457e-07% change)
- linmin: converged after 20 iterations.
- iteration 49: trace = 1.269582089806961 (1.05578e-07% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 1.269582088919776 (6.98801e-08% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 1.269582088275121 (5.07769e-08% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 1.269582087760951 (4.04992e-08% change)
- linmin: converged after 12 iterations.
- iteration 53: trace = 1.269582087362723 (3.13669e-08% change)
- linmin: converged after 6 iterations.
- iteration 54: trace = 1.269582087136648 (1.78071e-08% change)
- linmin: converged after 2 iterations.
- iteration 55: trace = 1.269582087016091 (9.49576e-09% change)
- linmin: converged after 9 iterations.
- iteration 56: trace = 1.269582086921614 (7.44162e-09% change)
- linmin: converged after 9 iterations.
- iteration 57: trace = 1.269582086848892 (5.72801e-09% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 1.269582086810662 (3.01122e-09% change)
- linmin: converged after 6 iterations.
- iteration 59: trace = 1.269582086792638 (1.4197e-09% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 1.269582086781325 (8.91094e-10% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 1.269582086771858 (7.45616e-10% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 1.269582086763084 (6.91153e-10% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 1.269582086756867 (4.89638e-10% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 1.269582086753405 (2.72733e-10% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 1.269582086751192 (1.74266e-10% change)
- linmin: converged after 9 iterations.
- iteration 66: trace = 1.269582086749747 (1.13857e-10% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 1.269582086748959 (6.2053e-11% change)
-Finished solving for bands 7 to 12 after 67 iterations.
-Finished k-point with 38 mean iterations/band.
-tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447
-elapsed time for k point: 2.4054956436157227
-Fixing e-field (band 1) phase by 1 + -1.73164e-16i; max ampl. = 0.407996
-Fixing e-field (band 2) phase by -3.3667e-12 + -1i; max ampl. = 0.441101
-Fixing e-field (band 3) phase by 1 + 2.01153e-15i; max ampl. = 0.464954
-Fixing e-field (band 4) phase by 4.86528e-12 + 1i; max ampl. = 0.46974
-Fixing e-field (band 5) phase by 1 + 6.49208e-15i; max ampl. = 0.505749
-Fixing e-field (band 6) phase by -1.59948e-11 + 1i; max ampl. = 0.483913
-Fixing e-field (band 7) phase by 1 + 3.73227e-14i; max ampl. = 0.643734
-Fixing e-field (band 8) phase by 4.02684e-12 + 1i; max ampl. = 0.465166
-Fixing e-field (band 9) phase by -1 + 6.87358e-14i; max ampl. = 0.43823
-Fixing e-field (band 10) phase by 1.98569e-13 + 1i; max ampl. = 0.518507
-Fixing e-field (band 11) phase by -1 + -3.00146e-12i; max ampl. = 0.471405
-Fixing e-field (band 12) phase by 1.05977e-13 + -1i; max ampl. = 0.443866
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b01.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b02.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b03.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b04.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b05.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b06.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b07.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b08.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b09.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b10.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b11.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k05.b12.z.tm.h5...
-solve_kpoint (0.5,1.75,0):
-Solving for bands 1 to 6...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.4044979732169223 (13.7656% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.4025034611955529 (0.494302% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.4024212890120757 (0.0204174% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.4024194033576305 (0.000468578% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.4024193544035438 (1.21649e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.4024193537759778 (1.55948e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.4024193537536845 (5.5398e-09% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.4024193537529454 (1.83672e-10% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.4024193537529305 (3.71068e-12% change)
-Finished solving for bands 1 to 6 after 9 iterations.
-Solving for bands 7 to 12...
- linmin: converged after 5 iterations.
- iteration 1: trace = 1.246579896079849 (3.2355% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 1.241420423793717 (0.414749% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.240323895101215 (0.0883676% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 1.240074667273184 (0.0200958% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 1.24004995523007 (0.00199281% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.240046276550807 (0.000296656% change)
- linmin: converged after 13 iterations.
- iteration 7: trace = 1.240045445498693 (6.70179e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 1.240045287286182 (1.27586e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 1.240045263300231 (1.93428e-06% change)
- linmin: converged after 29 iterations.
- iteration 10: trace = 1.240045258080157 (4.20958e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 1.240045257186147 (7.2095e-08% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 1.240045257084782 (8.17431e-09% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 1.2400452570647 (1.61945e-09% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 1.240045257061235 (2.7939e-10% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 1.24004525706096 (2.21857e-11% change)
-Finished solving for bands 7 to 12 after 15 iterations.
-Finished k-point with 12 mean iterations/band.
-tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569
-elapsed time for k point: 0.7626831531524658
-Fixing e-field (band 1) phase by 1 + -2.00047e-16i; max ampl. = 0.422882
-Fixing e-field (band 2) phase by 3.32784e-12 + -1i; max ampl. = 0.466091
-Fixing e-field (band 3) phase by 1 + -1.40064e-17i; max ampl. = 0.462198
-Fixing e-field (band 4) phase by -2.01924e-11 + -1i; max ampl. = 0.471227
-Fixing e-field (band 5) phase by 1 + -5.35018e-15i; max ampl. = 0.472309
-Fixing e-field (band 6) phase by 2.80754e-11 + 1i; max ampl. = 0.476607
-Fixing e-field (band 7) phase by 1 + 9.0298e-16i; max ampl. = 0.600013
-Fixing e-field (band 8) phase by 1.76087e-12 + -1i; max ampl. = 0.468917
-Fixing e-field (band 9) phase by 1 + 1.7165e-16i; max ampl. = 0.508553
-Fixing e-field (band 10) phase by -5.29416e-13 + 1i; max ampl. = 0.472551
-Fixing e-field (band 11) phase by 1 + -1.64417e-14i; max ampl. = 0.507635
-Fixing e-field (band 12) phase by 3.04706e-13 + 1i; max ampl. = 0.465525
-..Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b01.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b02.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b03.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b04.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b05.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b06.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b07.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b08.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b09.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b10.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b11.z.tm.h5...
-Outputting fields to /tmp/meepg15Lzl/test_line_defect-0-e.k06.b12.z.tm.h5...
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2563501053544447 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
-Band 2 range: 0.10088801014542215 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278226 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
-Band 3 range: 0.11054374616924004 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
-Band 4 range: 0.19143758098896266 at Vector3<0.0, 0.0, 0.0> to 0.25957071278987937 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
-Band 5 range: 0.20907741437429694 at Vector3<0.0, 0.0, 0.0> to 0.26470695742810507 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0>
-Band 6 range: 0.25276899480758896 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0>
-Band 7 range: 0.33733710311255866 at Vector3<0.0, 0.0, 0.0> to 0.442497664916943 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0>
-Band 8 range: 0.4482627765538221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4683903271760484 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0>
-Band 9 range: 0.4514954029529221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.47131948362277304 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0>
-Band 10 range: 0.45640253677801607 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49648508869253005 at Vector3<0.0, 0.0, 0.0>
-Band 11 range: 0.46290665804314135 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324185 at Vector3<0.0, 0.0, 0.0>
-Band 12 range: 0.4656904639721246 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661458 at Vector3<0.0, 0.0, 0.0>
-Gap from band 6 (0.27082126366760045) to band 7 (0.33733710311255866), 21.8745126527225%
-Gap from band 7 (0.442497664916943) to band 8 (0.4482627765538221), 1.2944247113983016%
-total elapsed time for run: 11.437739610671997
-done
-/tmp/meepg15Lzl/test_line_defect-0: 11.44s
-
-/tmp/meepg15Lzl/test_list_split-0
-========================
-/tmp/meepg15Lzl/test_list_split-0: 0.00s
-
-/tmp/meepg15Lzl/test_load_and_save_eigenvectors-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013856887817382812
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14065265655517578
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.3923628330230713
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08683919906616211
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.07980084419250488
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09235835075378418
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.1441807746887207
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.1088719367980957
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.0926363468170166
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.07986903190612793
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.0764014720916748
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07639193534851074
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.06033658981323242
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07007217407226562
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09575557708740234
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11216115951538086
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.24978423118591309
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 1.961000680923462
-done
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0014221668243408203
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14058327674865723
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.39330315589904785
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08653664588928223
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.07963371276855469
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09208369255065918
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14339280128479004
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.10879659652709961
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09244751930236816
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.07950067520141602
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.0761559009552002
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07592988014221191
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.06034374237060547
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.06994247436523438
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09554719924926758
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11162018775939941
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-.elapsed time for k point: 0.24889135360717773
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 1.9573099613189697
-done
-/tmp/meepg15Lzl/test_load_and_save_eigenvectors-0: 3.92s
-
-/tmp/meepg15Lzl/test_maximize_first_tm_gap-0
-========================
-Initializing eigensolver data
-Computing 2 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 2 bands at a time.
-Creating Maxwell data...
-Mesh size is 7.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.252786, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0009162425994873047
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2
-Solving for bands 2 to 2...
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 1: trace = 0.4898474331528383 (198.799% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.2634327276606197 (60.1143% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.2256354401058421 (15.4569% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.2118795772470987 (6.28818% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 0.2093240519911654 (1.21344% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.2091127254372625 (0.101008% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.2090852588528238 (0.0131357% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.2090837640052219 (0.000714949% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.2090835745606499 (9.06071e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.209083529405388 (2.15968e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.2090835264202496 (1.42773e-06% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 0.2090835262060447 (1.02449e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 0.2090835261751921 (1.47561e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 0.2090835261708315 (2.08559e-09% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 0.2090835261706046 (1.08522e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.2090835261705098 (4.53204e-11% change)
-Finished solving for bands 2 to 2 after 16 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257
-elapsed time for k point: 0.004288434982299805
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 10 iterations.
- iteration 1: trace = 0.2098651202886062 (4.6103% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.2077435553715469 (1.01605% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.2065876445984869 (0.557965% change)
- large trace change predicted (1.26308%)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.2036945327837802 (1.4103% change)
- linmin: converged after 7 iterations.
- iteration 5: trace = 0.2020820274046518 (0.794775% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 0.2017151357863381 (0.181721% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.2016398542630094 (0.0373277% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.2015598361330475 (0.0396916% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 0.2014449638068836 (0.0570079% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.2014122707810966 (0.0162306% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.2014087537596145 (0.0017462% change)
- linmin: converged after 15 iterations.
- iteration 12: trace = 0.2014078549180843 (0.000446278% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.2014061973776658 (0.00082298% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 0.2014048838687256 (0.000652171% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 0.2014047218138699 (8.04623e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.2014047010268015 (1.0321e-05% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.2014046853812204 (7.76823e-06% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 0.201404660765346 (1.22221e-05% change)
- linmin: converged after 11 iterations.
- iteration 19: trace = 0.2014046519845329 (4.35979e-06% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 0.2014046509574838 (5.09943e-07% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 0.2014046507829159 (8.66752e-08% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 0.2014046504702771 (1.55229e-07% change)
- linmin: converged after 21 iterations.
- iteration 23: trace = 0.201404650217115 (1.25698e-07% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 0.2014046501748755 (2.09725e-08% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 0.2014046501695867 (2.62594e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.2014046501671034 (1.23299e-09% change)
- large trace change predicted (2.54495e-09%)
- linmin: converged after 11 iterations.
- iteration 27: trace = 0.2014046501619765 (2.54556e-09% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 0.201404650160167 (8.98439e-10% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.2014046501599492 (1.08167e-10% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 0.201404650159914 (1.74605e-11% change)
-Finished solving for bands 1 to 2 after 30 iterations.
-tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338
-elapsed time for k point: 0.01839613914489746
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.1886993853589348 (5.81613% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.1879329654030555 (0.406986% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1879019987162396 (0.0164789% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.1879007700599346 (0.000653884% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.1879007324411779 (2.00205e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.187900730110987 (1.24012e-06% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.1879007300208395 (4.79761e-08% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.1879007300173998 (1.83059e-09% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.1879007300173185 (4.32802e-11% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196
-elapsed time for k point: 0.005757808685302734
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.177090620447409 (5.09773% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1768676334153295 (0.125996% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1768576072264843 (0.00566891% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.1768571937062109 (0.000233816% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 0.1768571846110659 (5.14265e-06% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.17685718426356 (1.9649e-07% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.1768571842571168 (3.64315e-09% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.176857184256887 (1.29897e-10% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.1768571842568802 (3.84498e-12% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009
-elapsed time for k point: 0.005828380584716797
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.1703028333697424 (5.07332% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1701701834280546 (0.077921% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.1701632888796343 (0.00405164% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 0.1701630475985811 (0.000141794% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.170163043820658 (2.22018e-06% change)
- linmin: converged after 26 iterations.
- iteration 6: trace = 0.1701630436796942 (8.28404e-08% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.1701630436771921 (1.47042e-09% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 0.1701630436771221 (4.11041e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342
-elapsed time for k point: 0.005234479904174805
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.1680722256068113 (5.13139% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1679599575333087 (0.0668198% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.1679544178043843 (0.0032983% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 0.1679542046758051 (0.000126897% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 0.1679542018800741 (1.66458e-06% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.1679542017770075 (6.13659e-08% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.1679542017749324 (1.23554e-09% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.167954201774869 (3.77281e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201
-elapsed time for k point: 0.005274295806884766
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 2...
- linmin: converged after 3 iterations.
- iteration 1: trace = 0.1727907851940615 (0.90973% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1727441194082773 (0.0270108% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.172742290671633 (0.00105864% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 0.1727422490693743 (2.40834e-05% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.1727422479861119 (6.27098e-07% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.1727422479682355 (1.03486e-08% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.1727422479677768 (2.65501e-10% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.1727422479677606 (9.39956e-12% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057
-elapsed time for k point: 0.005142688751220703
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.1860989381524436 (1.56232% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1859976762889476 (0.0544277% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.1859938669738662 (0.00204807% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.1859937714047326 (5.1383e-05% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.1859937688937456 (1.35004e-06% change)
- linmin: converged after 20 iterations.
- iteration 6: trace = 0.1859937688390201 (2.94233e-08% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.1859937688378915 (6.06808e-10% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.1859937688378515 (2.15337e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912
-elapsed time for k point: 0.005193948745727539
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.204398857278778 (2.75517% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.2041523986067431 (0.12065% change)
- linmin: converged after 2 iterations.
- iteration 3: trace = 0.2041422878985797 (0.00495265% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.2041420493962594 (0.000116831% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.204142041499828 (3.86811e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.2041420413330259 (8.17088e-08% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.204142041329127 (1.90987e-09% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.2041420413289723 (7.57989e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618
-elapsed time for k point: 0.005351543426513672
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 2...
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.2213300955570094 (4.3094% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.2207839638738396 (0.247055% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2207589339831465 (0.0113375% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.2207583808306992 (0.000250569% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2207583584069987 (1.01576e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.220758357912076 (2.24192e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.2207583578975028 (6.60144e-09% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.2207583578967375 (3.46633e-10% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 0.2207583578967242 (6.03496e-12% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104
-elapsed time for k point: 0.005798816680908203
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.2286358930851747 (5.87517% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.2277546866636135 (0.386163% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2277132378226158 (0.0182006% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.2277123246168996 (0.000401034% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2277122854063269 (1.72193e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.2277122844171639 (4.34392e-07% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.2277122843860133 (1.36798e-08% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.2277122843842668 (7.66961e-10% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.2277122843842428 (1.05556e-11% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058
-elapsed time for k point: 0.005737781524658203
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.2240217978987306 (8.03377% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.2227325966086012 (0.577141% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.2221794028707296 (0.248676% change)
- large trace change predicted (1.12179%)
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.2201021533223285 (0.939334% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 0.2194887472932667 (0.27908% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.2194646258573113 (0.0109904% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.2194635570027366 (0.000487029% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.2194633146452799 (0.000110432% change)
- large trace change predicted (0.00027517%)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.2194627106479067 (0.000275216% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.2194625034252833 (9.44227e-05% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 0.2194624959688223 (3.3976e-06% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 0.2194624957143563 (1.1595e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 0.2194624956685689 (2.08635e-08% change)
- large trace change predicted (5.35737e-08%)
- linmin: converged after 2 iterations.
- iteration 14: trace = 0.2194624955509947 (5.35737e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 0.2194624955026465 (2.20302e-08% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 0.2194624955005199 (9.69019e-10% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 0.2194624955004418 (3.56141e-11% change)
-Finished solving for bands 1 to 2 after 17 iterations.
-tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656
-elapsed time for k point: 0.010411262512207031
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.2048270491097952 (7.89384% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.2042255888086185 (0.294075% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2042030572713608 (0.0110333% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.2042021613101474 (0.000438761% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2042021401646438 (1.03552e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.2042021396348914 (2.59426e-07% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 0.2042021396248773 (4.90403e-09% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.2042021396245604 (1.55196e-10% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.2042021396245495 (5.31455e-12% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028
-elapsed time for k point: 0.005733489990234375
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 2...
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.1961694955193463 (6.14128% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1959410036458176 (0.116545% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1959317156392236 (0.00474032% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.1959313940592608 (0.000164129% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.1959313856969012 (4.268e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.1959313854375356 (1.32376e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.195931385431126 (3.27138e-09% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.1959313854307266 (2.03834e-10% change)
- linmin: converged after 7 iterations.
- iteration 9: trace = 0.1959313854307188 (4.00897e-12% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611
-elapsed time for k point: 0.005784273147583008
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 2...
- linmin: converged after 8 iterations.
- iteration 1: trace = 0.2014853855724111 (5.75945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.2008264904582411 (0.327554% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.2007788953842623 (0.0237024% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.200774994456563 (0.00194292% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 0.2007748543968735 (6.97596e-05% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.2007748486133257 (2.88061e-06% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.2007748484344859 (8.90748e-08% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.2007748484304172 (2.02647e-09% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.2007748484302034 (1.06516e-10% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.2007748484301817 (1.08105e-11% change)
-Finished solving for bands 1 to 2 after 10 iterations.
-tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244
-elapsed time for k point: 0.006433725357055664
-solve_kpoint (0,0,0):
-Solving for bands 2 to 2...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.2122718724222841 (4.82659% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.2094216112500319 (1.35182% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2091030511365138 (0.15223% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.2090846371542949 (0.00880656% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.2090836304333473 (0.000481491% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.2090835247433784 (5.05491e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.2090835130860209 (5.57545e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.20908351233741 (3.58044e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 0.2090835122673797 (3.34939e-08% change)
- linmin: converged after 12 iterations.
- iteration 10: trace = 0.2090835122583799 (4.3044e-09% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.209083512257221 (5.54292e-10% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.2090835122571488 (3.45147e-11% change)
-Finished solving for bands 2 to 2 after 12 iterations.
-tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257
-elapsed time for k point: 0.0031943321228027344
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992222 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.35120083530511803 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897039 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.24902949992222) to band 2 (0.35120083530511803), 34.044042557162825%
-total elapsed time for run: 0.10515880584716797
-done
-Initializing eigensolver data
-Computing 2 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 2 bands at a time.
-Creating Maxwell data...
-Mesh size is 7.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.347214, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0012390613555908203
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2
-Solving for bands 2 to 2...
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 1: trace = 0.4343181010737095 (198.885% change)
- linmin: converged after 12 iterations.
- iteration 2: trace = 0.1466798479702049 (99.0152% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1367387884266781 (7.01511% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.1336076174223981 (2.31641% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 0.1327039030623742 (0.67869% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.1326703124348133 (0.0253157% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.1326539772352652 (0.0123134% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.1326531685227361 (0.000609642% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.1326529640371999 (0.000154151% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.1326529337762072 (2.28122e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.1326529311517259 (1.97846e-06% change)
- linmin: converged after 18 iterations.
- iteration 12: trace = 0.1326529297895758 (1.02685e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 0.1326529296923191 (7.33166e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 0.1326529296662335 (1.96646e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 0.1326529296624067 (2.8848e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 0.1326529296621591 (1.86637e-10% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 0.1326529296620271 (9.95329e-11% change)
-Finished solving for bands 2 to 2 after 17 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215
-elapsed time for k point: 0.004506111145019531
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 9 iterations.
- iteration 1: trace = 0.1330276952346082 (5.99259% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.1318813366874199 (0.865473% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1308680471843932 (0.771297% change)
- large trace change predicted (1.92882%)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.128304306929748 (1.97841% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 0.1276263878962662 (0.529768% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.1275322440298945 (0.0737924% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 0.1275021778548772 (0.0235781% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.1274414865517367 (0.0476115% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 0.1274120300325395 (0.0231164% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.1274093849400094 (0.00207604% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 0.1274090082736754 (0.000295635% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 0.1274085198427984 (0.000383357% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.1274080628429791 (0.000358689% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 0.1274079792683117 (6.55961e-05% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 0.1274079726496398 (5.19486e-06% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.1274079698067216 (2.23135e-06% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 0.1274079642222976 (4.3831e-06% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.1274079624506347 (1.39054e-06% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.1274079623179862 (1.04113e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 0.1274079622924786 (2.00204e-08% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 0.1274079622440727 (3.79928e-08% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 0.1274079622155672 (2.23734e-08% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 0.1274079622132353 (1.83032e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 0.1274079622129696 (2.08546e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 0.1274079622125829 (3.03528e-10% change)
- linmin: converged after 20 iterations.
- iteration 26: trace = 0.1274079622122151 (2.8867e-10% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.1274079622121569 (4.56827e-11% change)
-Finished solving for bands 1 to 2 after 27 iterations.
-tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242
-elapsed time for k point: 0.016869783401489258
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.1175895698985854 (8.46358% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.1169854373382419 (0.515087% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1169634629343659 (0.0187856% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.1169624287919833 (0.000884162% change)
- linmin: converged after 15 iterations.
- iteration 5: trace = 0.1169623892439103 (3.38126e-05% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.1169623870108744 (1.90919e-06% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.1169623869324882 (6.70183e-08% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.1169623869302093 (1.94843e-09% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 0.1169623869301465 (5.37255e-11% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853
-elapsed time for k point: 0.005748271942138672
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.1076617181330985 (7.39497% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1074867217773472 (0.162675% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.1074797532363015 (0.00648337% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.1074794560989978 (0.000276459% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.1074794492025648 (6.41651e-06% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.1074794489996317 (1.88811e-07% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.1074794489927401 (6.41204e-09% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.1074794489925578 (1.69638e-10% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 0.1074794489925547 (2.87938e-12% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301
-elapsed time for k point: 0.005771160125732422
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.1014137083501608 (7.0899% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 0.1013434149944228 (0.0693375% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1013402349806177 (0.00313791% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.1013401302210901 (0.000103374% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.1013401281880725 (2.00613e-06% change)
- linmin: converged after 21 iterations.
- iteration 6: trace = 0.1013401281491232 (3.84342e-08% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 0.1013401281478892 (1.21771e-09% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.1013401281478577 (3.10586e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456
-elapsed time for k point: 0.005373716354370117
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.09929517146312491 (6.9708% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 0.09924752556066022 (0.0479956% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.09924547743477752 (0.00206368% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 0.09924540340840851 (7.45892e-05% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.09924540237232149 (1.04396e-06% change)
- linmin: converged after 27 iterations.
- iteration 6: trace = 0.09924540235031715 (2.21716e-08% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.0992454023496615 (6.60627e-10% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.09924540234965068 (1.0907e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996
-elapsed time for k point: 0.005290031433105469
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.1023748756355368 (0.938618% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.10234483009841 (0.0293529% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1023441319883404 (0.000682118% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.1023441118540878 (1.96731e-05% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.1023441112170787 (6.22419e-07% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.1023441112108164 (6.11888e-09% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.1023441112106436 (1.68821e-10% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.1023441112106414 (2.08823e-12% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821
-elapsed time for k point: 0.005157470703125
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.1111648725369592 (1.70677% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1111022041294547 (0.0563902% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1111005428817409 (0.00149525% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.1111004887965007 (4.86814e-05% change)
- linmin: converged after 11 iterations.
- iteration 5: trace = 0.1111004875283868 (1.14141e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.1111004875048891 (2.115e-08% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.1111004875044872 (3.61795e-10% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.1111004875044771 (9.06861e-12% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239
-elapsed time for k point: 0.0051822662353515625
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.1238434803057007 (3.06251% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1236602488077916 (0.148064% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1236554311291923 (0.00389598% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.1236552618867514 (0.000136866% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 0.1236552585512283 (2.69744e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.1236552584722953 (6.38331e-08% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.1236552584710226 (1.02924e-09% change)
- linmin: converged after 9 iterations.
- iteration 8: trace = 0.1236552584709829 (3.20752e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223
-elapsed time for k point: 0.005158662796020508
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 2...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.1365861283694175 (4.90629% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.1360353991956018 (0.404025% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1360216616314292 (0.010099% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.1360211293759799 (0.000391303% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 0.136021117748354 (8.5484e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.1360211172989073 (3.30424e-07% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.136021117275474 (1.72277e-08% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.1360211172747932 (5.00461e-10% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.1360211172747791 (1.03659e-11% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912
-elapsed time for k point: 0.005744218826293945
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.1427907515851958 (7.20068% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.1416129588617777 (0.828254% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1415842924679495 (0.0202448% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.1415827791943139 (0.00106882% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.1415827277312479 (3.63484e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.1415827249602425 (1.95716e-06% change)
- linmin: converged after 7 iterations.
- iteration 7: trace = 0.1415827248205369 (9.86742e-08% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.1415827248187983 (1.22794e-09% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.1415827248187514 (3.31108e-11% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246
-elapsed time for k point: 0.005743503570556641
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.139128512598051 (10.1029% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1378170044816252 (0.947124% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1377216292272727 (0.0692282% change)
- large trace change predicted (0.351976%)
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.1372856158281962 (0.317092% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 0.1366576168038859 (0.458488% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.1366119030153259 (0.0334569% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.1366103217876671 (0.00115747% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.1366097453256683 (0.000421976% change)
- large trace change predicted (0.0013334%)
- linmin: converged after 5 iterations.
- iteration 9: trace = 0.1366079217893784 (0.00133486% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 0.1366070298222958 (0.000652942% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.1366069869567786 (3.13787e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 0.1366069853873101 (1.14889e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 0.136606984352414 (7.57572e-07% change)
- large trace change predicted (2.51117e-06%)
- linmin: converged after 7 iterations.
- iteration 14: trace = 0.1366069809219635 (2.51118e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 0.1366069801728979 (5.48336e-07% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 0.1366069801486565 (1.77453e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 0.1366069801469442 (1.25345e-09% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.1366069801444114 (1.85406e-09% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.1366069801394009 (3.6678e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 0.1366069801387251 (4.94739e-10% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 0.1366069801387 (1.8347e-11% change)
-Finished solving for bands 1 to 2 after 21 iterations.
-tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507
-elapsed time for k point: 0.012731075286865234
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 2...
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.1288477330212029 (10.0415% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.1283196778719535 (0.41067% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1283049547472065 (0.0114744% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.1283044898205979 (0.000362361% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.1283044779202521 (9.27508e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.1283044775632081 (2.78279e-07% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.1283044775566784 (5.08924e-09% change)
- linmin: converged after 12 iterations.
- iteration 8: trace = 0.1283044775564042 (2.13687e-10% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.1283044775563505 (4.18591e-11% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617
-elapsed time for k point: 0.005753040313720703
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 2...
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.1253721759990562 (8.44741% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1250731667431224 (0.238782% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1250655728028864 (0.00607178% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 0.1250652918569694 (0.000224639% change)
- linmin: converged after 24 iterations.
- iteration 5: trace = 0.1250652868137379 (4.03248e-06% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.1250652866511762 (1.29981e-07% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.1250652866473551 (3.05531e-09% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.1250652866471705 (1.47605e-10% change)
- linmin: converged after 7 iterations.
- iteration 9: trace = 0.125065286647159 (9.16566e-12% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539
-elapsed time for k point: 0.005766630172729492
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 2...
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.1294353344754178 (8.78986% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.1287958675499608 (0.495267% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.1287444978499471 (0.0398925% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.1287432352198245 (0.00098073% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 0.1287431529997959 (6.38636e-05% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.1287431505713914 (1.88624e-06% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.1287431504657529 (8.20537e-08% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.1287431504623983 (2.60558e-09% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.1287431504622696 (9.99901e-11% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456
-elapsed time for k point: 0.005742311477661133
-solve_kpoint (0,0,0):
-Solving for bands 2 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.1366524581132343 (4.3465% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.1330957028213662 (2.63709% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.1326683867029226 (0.321576% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.1326585108523264 (0.00744429% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.1326532168393765 (0.00399079% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.1326529644658705 (0.000190251% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.1326529514655156 (9.80028e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.1326529455152222 (4.48561e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 0.1326529452762264 (1.80166e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 0.1326529452646071 (8.75921e-09% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 0.1326529452610045 (2.71582e-09% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 0.1326529452608697 (1.01562e-10% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 0.1326529452608119 (4.36045e-11% change)
-Finished solving for bands 2 to 2 after 13 iterations.
-tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216
-elapsed time for k point: 0.0034284591674804688
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2186225691051753 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.25999614437474916 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458684 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.2186225691051753) to band 2 (0.25999614437474916), 17.288741164655384%
-total elapsed time for run: 0.10594439506530762
-done
-Initializing eigensolver data
-Computing 2 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 2 bands at a time.
-Creating Maxwell data...
-Mesh size is 7.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.194427, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0008873939514160156
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2
-Solving for bands 2 to 2...
- near maximum in trace
- linmin: converged after 9 iterations.
- iteration 1: trace = 0.6549253906200143 (198.431% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.3091275545744975 (71.7383% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.3021663145641905 (2.27754% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.3010091523576726 (0.38369% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 0.2989636350397318 (0.68187% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 0.2983048314779293 (0.220606% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.2982588060176778 (0.0154302% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.298256042683861 (0.000926493% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.2982542423263998 (0.00060363% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.2982522951543164 (0.000652859% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.2982519775108616 (0.000106502% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.2982519598579505 (5.91879e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.2982519583456514 (5.07054e-07% change)
- linmin: converged after 15 iterations.
- iteration 14: trace = 0.2982519560571799 (7.67295e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 0.2982519551981037 (2.88037e-07% change)
- linmin: converged after 8 iterations.
- iteration 16: trace = 0.2982519551550086 (1.44492e-08% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 0.2982519551524458 (8.59287e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 0.2982519551507772 (5.59445e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.2982519551491578 (5.42991e-10% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 0.2982519551490034 (5.17418e-11% change)
-Finished solving for bands 2 to 2 after 20 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124
-elapsed time for k point: 0.005235433578491211
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.2966250315366553 (4.81134% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 0.2810412199538802 (5.39544% change)
- linmin: converged after 7 iterations.
- iteration 3: trace = 0.2797075559501458 (0.475673% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.2796368858730388 (0.0252689% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.2796049788771749 (0.0114108% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.2795924192270245 (0.00449203% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.2795912768509242 (0.000408587% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.2795911968916416 (2.85986e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.2795911512747801 (1.63156e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.2795911392192883 (4.31183e-06% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 0.279591138056747 (4.158e-07% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.2795911379221785 (4.81304e-08% change)
- linmin: converged after 27 iterations.
- iteration 13: trace = 0.2795911378697254 (1.87606e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 0.2795911378501708 (6.99401e-09% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.2795911378480385 (7.62667e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.2795911378478668 (6.13898e-11% change)
-Finished solving for bands 1 to 2 after 16 iterations.
-tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701
-elapsed time for k point: 0.009923934936523438
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.262285041991294 (3.26212% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.2613364588441809 (0.362316% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2611888623243493 (0.0564935% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.2611845433419114 (0.0016536% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.2611842511623715 (0.000111867% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.2611842413682735 (3.74988e-06% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.261184240987902 (1.45633e-07% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.2611842409520096 (1.37422e-08% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.2611842409471598 (1.85689e-09% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.2611842409470008 (6.08704e-11% change)
-Finished solving for bands 1 to 2 after 10 iterations.
-tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734
-elapsed time for k point: 0.006311655044555664
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.2495890152828732 (3.71776% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.2491349626349514 (0.182086% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2491001185963264 (0.013987% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.2490994092373555 (0.000284769% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2490993783901632 (1.23835e-05% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.2490993774714976 (3.68795e-07% change)
- linmin: converged after 17 iterations.
- iteration 7: trace = 0.2490993774413398 (1.21067e-08% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 0.2490993774400472 (5.18911e-10% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.2490993774400128 (1.37943e-11% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719
-elapsed time for k point: 0.0057849884033203125
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.2427649179615225 (4.12003% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.242459580028427 (0.125854% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2424461076700271 (0.00555669% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.2424457235513505 (0.000158435% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2424457147102562 (3.64663e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.2424457144963569 (8.82257e-08% change)
- linmin: converged after 8 iterations.
- iteration 7: trace = 0.2424457144901444 (2.56241e-09% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.242445714489984 (6.61589e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373
-elapsed time for k point: 0.005168914794921875
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.2406037838644215 (4.34726% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.2403528913598912 (0.104331% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.2403446058300958 (0.00344729% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.2403442785818099 (0.000136158% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2403442726085168 (2.48531e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.2403442724382664 (7.08361e-08% change)
- linmin: converged after 7 iterations.
- iteration 7: trace = 0.2403442724330158 (2.1846e-09% change)
- linmin: converged after 7 iterations.
- iteration 8: trace = 0.2403442724329466 (2.88129e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115
-elapsed time for k point: 0.005178689956665039
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.2478650541659824 (0.665976% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.2478153067195069 (0.0200724% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.2478136011813217 (0.000688232% change)
- linmin: converged after 9 iterations.
- iteration 4: trace = 0.2478135705407395 (1.23644e-05% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 0.2478135698495617 (2.7891e-07% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.247813569828165 (8.63421e-09% change)
- linmin: converged after 14 iterations.
- iteration 7: trace = 0.2478135698278286 (1.35724e-10% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.2478135698278218 (2.76645e-12% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085
-elapsed time for k point: 0.005178689956665039
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.2689523558126344 (1.15158% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.2687965094237142 (0.0579625% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.2687923010456907 (0.00156565% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.2687921865479118 (4.25971e-05% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 0.2687921840676181 (9.22755e-07% change)
- linmin: converged after 16 iterations.
- iteration 6: trace = 0.2687921840087602 (2.18972e-08% change)
- linmin: converged after 10 iterations.
- iteration 7: trace = 0.2687921840070877 (6.22226e-10% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.2687921840070467 (1.52412e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323
-elapsed time for k point: 0.00518488883972168
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.2988641621313887 (2.11503% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.2984227993488109 (0.147789% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.2984110530872358 (0.00393619% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.2984106728909142 (0.000127407% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.2984106621553148 (3.59759e-06% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.298410661911048 (8.18559e-08% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.2984106619038381 (2.4161e-09% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.2984106619036122 (7.56926e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454
-elapsed time for k point: 0.00515437126159668
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 2...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.3278879623914513 (3.57107% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.3268031317976849 (0.331402% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.3267703883056816 (0.0100198% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.3267691490121234 (0.000379256% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.3267691042855297 (1.36875e-05% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.3267691033363587 (2.90471e-07% change)
- linmin: converged after 20 iterations.
- iteration 7: trace = 0.3267691033112133 (7.69517e-09% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.3267691033102657 (2.89983e-10% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.3267691033102509 (4.51878e-12% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688
-elapsed time for k point: 0.005761146545410156
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 2...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.3410949974631013 (5.35228% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.3391984614179793 (0.557564% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.3391366043905772 (0.0182379% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.339134207757369 (0.000706689% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.3391341108700711 (2.8569e-05% change)
- linmin: converged after 13 iterations.
- iteration 6: trace = 0.3391341089176967 (5.75694e-07% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.3391341088659968 (1.52447e-08% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.3391341088634661 (7.46223e-10% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.3391341088633691 (2.85958e-11% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621
-elapsed time for k point: 0.005728721618652344
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.3320175035443904 (7.19666% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.32885221764261 (0.957915% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.3263796244791458 (0.754723% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.3219901164799807 (1.35401% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.3215485300393172 (0.137237% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.3215259880095883 (0.00701071% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.321524056913301 (0.000600605% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.3215211961989128 (0.00088974% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.3215198890578126 (0.00040655% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.3215197879153993 (3.14576e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.3215197847617491 (9.80857e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 0.3215197841679537 (1.84684e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 0.321519783062564 (3.43801e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.321519782785553 (8.61567e-08% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 0.3215197827696911 (4.93344e-09% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.3215197827690932 (1.85947e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 0.3215197827688706 (6.92336e-11% change)
-Finished solving for bands 1 to 2 after 17 iterations.
-tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436
-elapsed time for k point: 0.010422945022583008
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.2914724979423134 (6.31106% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.2901669297397642 (0.448927% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2901228936895049 (0.0151773% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.2901214428380559 (0.000500083% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2901214024217765 (1.39308e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.2901214014190728 (3.45615e-07% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.2901214013741388 (1.5488e-08% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 0.2901214013724249 (5.90755e-10% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 0.2901214013723648 (2.07219e-11% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197
-elapsed time for k point: 0.005746364593505859
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.2714938962778228 (4.17227% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.2709002793369421 (0.218888% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.270862840327649 (0.0138212% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.2708607902378602 (0.000756877% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2708607279884342 (2.29821e-05% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.2708607259652259 (7.46955e-07% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.2708607258906749 (2.75237e-08% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.2708607258855507 (1.89183e-09% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.2708607258851874 (1.34136e-10% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 0.2708607258851711 (6.02534e-12% change)
-Finished solving for bands 1 to 2 after 10 iterations.
-tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863
-elapsed time for k point: 0.006354570388793945
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 2...
- linmin: converged after 9 iterations.
- iteration 1: trace = 0.275727883707746 (3.37811% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.2752294374122133 (0.180938% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2751077523722808 (0.044222% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.275094762042982 (0.00472202% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.2750943791629711 (0.000139181% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.2750943682465168 (3.96826e-06% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.275094367781892 (1.68897e-07% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.275094367703044 (2.86622e-08% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.2750943676888276 (5.16783e-09% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 0.2750943676881246 (2.55546e-10% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 0.2750943676881146 (3.63221e-12% change)
-Finished solving for bands 1 to 2 after 11 iterations.
-tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638
-elapsed time for k point: 0.006895780563354492
-solve_kpoint (0,0,0):
-Solving for bands 2 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.3063507184996812 (2.00508% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.3031319400186664 (1.05623% change)
- linmin: converged after 7 iterations.
- iteration 3: trace = 0.2988994850147804 (1.40606% change)
- linmin: converged after 8 iterations.
- iteration 4: trace = 0.2982983429994932 (0.201321% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 0.2982585418778202 (0.0133436% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.2982566127600081 (0.000646796% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.2982536607041398 (0.000989775% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.2982520309344616 (0.000546439% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 0.2982519600533238 (2.37655e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.2982519569354715 (1.04538e-06% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 0.2982519563685401 (1.90085e-07% change)
- linmin: converged after 16 iterations.
- iteration 12: trace = 0.2982519553645638 (3.3662e-07% change)
- linmin: converged after 10 iterations.
- iteration 13: trace = 0.2982519551600099 (6.85843e-08% change)
- linmin: converged after 22 iterations.
- iteration 14: trace = 0.2982519551499672 (3.36716e-09% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 0.2982519551494953 (1.58241e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.2982519551492224 (9.14974e-11% change)
-Finished solving for bands 2 to 2 after 16 iterations.
-tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124
-elapsed time for k point: 0.004203319549560547
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856945 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.42411505161943924 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610293 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.28540381057856945) to band 2 (0.42411505161943924), 39.1000855456212%
-total elapsed time for run: 0.09987902641296387
-done
-Initializing eigensolver data
-Computing 2 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 2 bands at a time.
-Creating Maxwell data...
-Mesh size is 7.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.161094, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0009284019470214844
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2
-Solving for bands 2 to 2...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 0.8865138653874612 (197.906% change)
- linmin: converged after 8 iterations.
- iteration 2: trace = 0.3200046970003622 (93.9081% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.3068086580978387 (4.21052% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.3030326413122449 (1.23836% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 0.3026141893486451 (0.138183% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.3025973435560046 (0.00556691% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.3025960087856283 (0.000441105% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.3025957149074368 (9.7119e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.3025956971360175 (5.87299e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 0.3025956960690346 (3.5261e-07% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.3025956959599987 (3.60335e-08% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 0.3025956959421134 (5.91063e-09% change)
- linmin: converged after 7 iterations.
- iteration 13: trace = 0.3025956959407101 (4.63743e-10% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 0.3025956959406486 (2.03262e-11% change)
-Finished solving for bands 2 to 2 after 14 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087
-elapsed time for k point: 0.003777742385864258
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.304694850544768 (3.77829% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.3012169493975252 (1.14799% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.3009374600602785 (0.0928298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.3009299252030405 (0.00250383% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.3009297396741477 (6.16519e-05% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.30092972116028 (6.15222e-06% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.3009297179658467 (1.06152e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.3009297177077819 (8.57558e-08% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 0.3009297177020471 (1.90569e-09% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.3009297177018309 (7.18493e-11% change)
-Finished solving for bands 1 to 2 after 10 iterations.
-tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799
-elapsed time for k point: 0.006392955780029297
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.2993772621931762 (4.06065% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.2971754981861197 (0.738162% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2969647758505132 (0.0709335% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.2969599541881608 (0.00162366% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2969598407822387 (3.8189e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.2969598364647942 (1.45388e-06% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.2969598362066004 (8.69457e-08% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.296959836184407 (7.47356e-09% change)
- linmin: converged after 9 iterations.
- iteration 9: trace = 0.2969598361819389 (8.31116e-10% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.2969598361818409 (3.30121e-11% change)
-Finished solving for bands 1 to 2 after 10 iterations.
-tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188
-elapsed time for k point: 0.00632476806640625
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.2938435215784341 (4.30612% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.2927441839095635 (0.374825% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2926467105733512 (0.033302% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.2926449733559747 (0.000593624% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2926449193562999 (1.84523e-05% change)
- linmin: converged after 13 iterations.
- iteration 6: trace = 0.292644917689337 (5.6962e-07% change)
- linmin: converged after 35 iterations.
- iteration 7: trace = 0.2926449175856842 (3.54193e-08% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.2926449175810242 (1.59239e-09% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 0.2926449175807107 (1.07136e-10% change)
- linmin: converged after 17 iterations.
- iteration 10: trace = 0.2926449175807007 (3.41438e-12% change)
-Finished solving for bands 1 to 2 after 10 iterations.
-tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698
-elapsed time for k point: 0.0063703060150146484
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.2901150873109321 (4.44251% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.2895449449297268 (0.196716% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2895150953299019 (0.0103097% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.2895144114344814 (0.000236221% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2895143963165008 (5.22184e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.2895143959258291 (1.3494e-07% change)
- linmin: converged after 19 iterations.
- iteration 7: trace = 0.2895143959126527 (4.55123e-09% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.2895143959121476 (1.74463e-10% change)
- linmin: converged after 9 iterations.
- iteration 9: trace = 0.2895143959121311 (5.67547e-12% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279
-elapsed time for k point: 0.005753278732299805
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.288803400262168 (4.49556% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.2883971863650514 (0.140753% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.2883890967942879 (0.00280505% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.2883886834700361 (0.000143322% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2883886769569957 (2.25842e-06% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.2883886767783875 (6.19331e-08% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.2883886767738498 (1.57349e-09% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.2883886767737718 (2.70252e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512
-elapsed time for k point: 0.0051767826080322266
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.2982501673194342 (0.506108% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 0.2982104738003746 (0.0133097% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.2982086460163033 (0.000612919% change)
- linmin: converged after 23 iterations.
- iteration 4: trace = 0.2982086207857152 (8.46072e-06% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.2982086197260261 (3.55352e-07% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.298208619695097 (1.03716e-08% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.2982086196943675 (2.44637e-10% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.2982086196943483 (6.44075e-12% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808
-elapsed time for k point: 0.005320549011230469
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.3266367774016526 (0.830279% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 0.3265044430836116 (0.0405224% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.3264980604168627 (0.00195487% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.3264979266586152 (4.09676e-05% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.3264979229973254 (1.12138e-06% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.3264979228246051 (5.29009e-08% change)
- linmin: converged after 15 iterations.
- iteration 7: trace = 0.3264979228224313 (6.65798e-10% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.3264979228223415 (2.75092e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208
-elapsed time for k point: 0.005360841751098633
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.3695365223764 (1.48558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.3690894962296903 (0.121043% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.3690670482003574 (0.00608219% change)
- linmin: converged after 9 iterations.
- iteration 4: trace = 0.369066437746191 (0.000165405% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.3690664179900577 (5.353e-06% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.3690664173327335 (1.78105e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.3690664173183388 (3.9003e-09% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 0.3690664173180317 (8.32066e-11% change)
-Finished solving for bands 1 to 2 after 8 iterations.
-tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732
-elapsed time for k point: 0.0053637027740478516
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 2...
- linmin: converged after 4 iterations.
- iteration 1: trace = 0.4173499292601254 (2.62841% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.4156434788169446 (0.409715% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.4155485977073974 (0.0228301% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.4155449430743093 (0.000879476% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 0.4155448032643572 (3.3645e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.4155448000759097 (7.67293e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.4155447999425277 (3.20981e-08% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 0.4155447999216207 (5.03121e-09% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.4155447999210303 (1.42083e-10% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.4155447999210046 (6.19841e-12% change)
-Finished solving for bands 1 to 2 after 10 iterations.
-tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571
-elapsed time for k point: 0.006546735763549805
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 2...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.4460423269353659 (5.07015% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.4401376357000977 (1.33262% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.4398345567490911 (0.0688838% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.4398187039759408 (0.00360432% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.4398182310628918 (0.000107525% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.4398182203781182 (2.42936e-06% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.4398182200041564 (8.50264e-08% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 0.4398182199097659 (2.14613e-08% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.4398182199058903 (8.81187e-10% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.4398182199057518 (3.14904e-11% change)
-Finished solving for bands 1 to 2 after 10 iterations.
-tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278
-elapsed time for k point: 0.006520271301269531
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.4254304940104555 (7.90763% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.4154061158898801 (2.38438% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.4086474339536491 (1.64035% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.4030720876492543 (1.37371% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.4025050595480553 (0.140776% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.4024773504470213 (0.0068844% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.4024758244070205 (0.000379162% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.4024756354882399 (4.69392e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 0.40247550442241 (3.25649e-05% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.4024754425634778 (1.53696e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.4024754386798522 (9.64935e-07% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.4024754384625262 (5.39973e-08% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.4024754384481776 (3.56508e-09% change)
- linmin: converged after 7 iterations.
- iteration 14: trace = 0.4024754384464003 (4.41592e-10% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 0.4024754384452956 (2.74483e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.4024754384447274 (1.41166e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 0.4024754384446911 (9.03404e-12% change)
-Finished solving for bands 1 to 2 after 17 iterations.
-tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161
-elapsed time for k point: 0.010434865951538086
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.3494947013271267 (5.04145% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.3477682141916972 (0.495218% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.3476951474265371 (0.0210124% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 0.3476919810771725 (0.000910672% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.3476919224042099 (1.6875e-05% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 0.3476919188690358 (1.01675e-06% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 0.3476919187143103 (4.45008e-08% change)
- linmin: converged after 18 iterations.
- iteration 8: trace = 0.3476919187046027 (2.792e-09% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.3476919187043958 (5.95198e-11% change)
-Finished solving for bands 1 to 2 after 9 iterations.
-tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254
-elapsed time for k point: 0.005922079086303711
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.313674462678804 (3.55049% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.3125395680681952 (0.362462% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.3124731771050028 (0.0212447% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.3124702465943586 (0.000937848% change)
- linmin: converged after 11 iterations.
- iteration 5: trace = 0.3124701893749383 (1.8312e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 0.3124701860944269 (1.04986e-06% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.3124701859365773 (5.05167e-08% change)
- linmin: converged after 18 iterations.
- iteration 8: trace = 0.3124701859237748 (4.09718e-09% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 0.3124701859233402 (1.39084e-10% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.312470185923318 (7.10611e-12% change)
-Finished solving for bands 1 to 2 after 10 iterations.
-tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918
-elapsed time for k point: 0.006334543228149414
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 2...
- linmin: converged after 6 iterations.
- iteration 1: trace = 0.3038101253174502 (3.91494% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.3016593346553426 (0.710454% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 0.3014471622741597 (0.0703598% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 0.3014388140917271 (0.00276941% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.3014386435309352 (5.65822e-05% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.3014386380615977 (1.81441e-06% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.3014386378123752 (8.26777e-08% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.3014386377980788 (4.74274e-09% change)
- linmin: converged after 10 iterations.
- iteration 9: trace = 0.3014386377957531 (7.71532e-10% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.3014386377955977 (5.15631e-11% change)
-Finished solving for bands 1 to 2 after 10 iterations.
-tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572
-elapsed time for k point: 0.006348371505737305
-solve_kpoint (0,0,0):
-Solving for bands 2 to 2...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.3082775823540669 (5.57215% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.3031076120438354 (1.69123% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 0.3026170118071226 (0.161988% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.3025983731804747 (0.00615934% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 0.302596172251638 (0.000727346% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 0.302595719263861 (0.000149701% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 0.3025956975678885 (7.16995e-06% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.3025956961202268 (4.78414e-07% change)
- linmin: converged after 29 iterations.
- iteration 9: trace = 0.3025956959692822 (4.98833e-08% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.30259569594187 (9.05901e-09% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 0.3025956959407161 (3.81337e-10% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.3025956959406537 (2.06198e-11% change)
-Finished solving for bands 2 to 2 after 12 iterations.
-tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087
-.elapsed time for k point: 0.0037043094635009766
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232155 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4615121898996919 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819286 at Vector3<0.5, 0.5, 0.0>
-Gap from band 1 (0.31744412297232155) to band 2 (0.4615121898996919), 36.990024869608185%
-total elapsed time for run: 0.09731340408325195
-done
-/tmp/meepg15Lzl/test_maximize_first_tm_gap-0: 0.41s
-
-/tmp/meepg15Lzl/test_multiply_bloch_in_mpb_data-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013773441314697266
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14090394973754883
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.3924992084503174
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08634257316589355
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.0794534683227539
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09209513664245605
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14416289329528809
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.10885286331176758
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09215593338012695
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.07951617240905762
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07599639892578125
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07609105110168457
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.060044288635253906
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.06996273994445801
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09525179862976074
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11157107353210449
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.2486732006072998
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 1.9561316967010498
-done
-Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099
-real part range: -1.10098 .. 1.10098
-imag part range: -0.00870098 .. 0.00766384
-real part range: -1.10099 .. 1.10099
-imag part range: -0.00766496 .. 0.00870069
-real part range: 0 .. 0
-imag part range: 0 .. 0
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0014317035675048828
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14011240005493164
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.39408445358276367
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08652019500732422
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.07971596717834473
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09254741668701172
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14331698417663574
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.1086571216583252
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09253621101379395
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.07961082458496094
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07638955116271973
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07622146606445312
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.060231924057006836
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07006096839904785
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09552597999572754
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11205863952636719
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.24851536750793457
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 1.9587078094482422
-done
-Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099
-real part range: -1.10098 .. 1.10098
-imag part range: -0.00870098 .. 0.00766384
-real part range: -1.10099 .. 1.10099
-imag part range: -0.00766496 .. 0.00870069
-real part range: 0 .. 0
-imag part range: 0 .. 0
-./tmp/meepg15Lzl/test_multiply_bloch_in_mpb_data-0: 3.96s
-
-/tmp/meepg15Lzl/test_multiply_bloch_phase-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013387203216552734
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.1406857967376709
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.39192652702331543
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08634042739868164
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.07945728302001953
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09218692779541016
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14309144020080566
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.10826873779296875
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09216547012329102
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.0793449878692627
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07612180709838867
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07572054862976074
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.06012749671936035
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.0696260929107666
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09511709213256836
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11148715019226074
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.24834227561950684
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 1.9525063037872314
-done
-Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099
-./tmp/meepg15Lzl/test_multiply_bloch_phase-0: 1.96s
-
-/tmp/meepg15Lzl/test_output_charge_density-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013325214385986328
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.1403367519378662
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.391690731048584
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08620047569274902
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.07920050621032715
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09177923202514648
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14344096183776855
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.1085054874420166
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09192633628845215
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.07929539680480957
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07610774040222168
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07579469680786133
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.0601348876953125
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.06968069076538086
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09543156623840332
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11137676239013672
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.24825692176818848
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 1.9516477584838867
-done
-Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099
-.Outputting complex scalar field to /tmp/meepg15Lzl/test_output_charge_density-0-C.k16.b08.te.h5...
-/tmp/meepg15Lzl/test_output_charge_density-0: 1.96s
-
-/tmp/meepg15Lzl/test_output_dpwr_in_objects-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013380050659179688
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.13976192474365234
-D-energy-components:, 1, 1, 0, 0, 0
-dpwr:, 1, 0.0, 0.0
-D-energy-components:, 1, 2, 0.500003, 0.499997, 0
-dpwr:, 2, 0.5527092320102546, 0.8567435000049365
-Outputting fields to /tmp/meepg15Lzl/test_output_dpwr_in_objects-0-d.k01.b02.te.h5...
-D-energy-components:, 1, 3, 0.455928, 0.544072, 0
-dpwr:, 3, 0.7732265593069426, 0.5288260557983413
-D-energy-components:, 1, 4, 0.544076, 0.455924, 0
-dpwr:, 4, 0.7732298839480439, 0.5288079654922656
-D-energy-components:, 1, 5, 0.5, 0.5, 0
-dpwr:, 5, 0.9229965195854466, 0.08910010798064814
-D-energy-components:, 1, 6, 0.125495, 0.874505, 0
-dpwr:, 6, 1.000171117688413, 0.4012464930179532
-D-energy-components:, 1, 7, 0.874503, 0.125497, 0
-dpwr:, 7, 1.0001720032258794, 0.40125199105710213
-D-energy-components:, 1, 8, 0.499992, 0.500008, 0
-dpwr:, 8, 1.092820931747629, 0.2872056682632663
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.3928849697113037
-D-energy-components:, 2, 1, 0.0311142, 0.968886, 0
-dpwr:, 1, 0.08973322605272505, 0.04603176933548133
-D-energy-components:, 2, 2, 0.488088, 0.511912, 0
-dpwr:, 2, 0.551137686974427, 0.8445541870140358
-D-energy-components:, 2, 3, 0.219526, 0.780474, 0
-dpwr:, 3, 0.7615997355586388, 0.4427396122607623
-D-energy-components:, 2, 4, 0.779994, 0.220006, 0
-dpwr:, 4, 0.7746821846144919, 0.5367491123449687
-D-energy-components:, 2, 5, 0.333449, 0.666551, 0
-dpwr:, 5, 0.9071987086409541, 0.3120181983347261
-D-energy-components:, 2, 6, 0.881419, 0.118581, 0
-dpwr:, 6, 1.001877952940223, 0.38913339289709303
-D-energy-components:, 2, 7, 0.392233, 0.607767, 0
-dpwr:, 7, 1.0035701586968402, 0.27762088392887485
-D-energy-components:, 2, 8, 0.507954, 0.492046, 0
-dpwr:, 8, 1.1020906511633553, 0.6676492387496954
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.0864722728729248
-D-energy-components:, 3, 1, 0.0363561, 0.963644, 0
-dpwr:, 1, 0.17869200446402672, 0.05442207264059689
-D-energy-components:, 3, 2, 0.446363, 0.553637, 0
-dpwr:, 2, 0.5448958802776009, 0.7942737936904464
-D-energy-components:, 3, 3, 0.23103, 0.76897, 0
-dpwr:, 3, 0.7285335884676534, 0.3007717411390054
-D-energy-components:, 3, 4, 0.758854, 0.241146, 0
-dpwr:, 4, 0.7785279987553604, 0.5586605740266591
-D-energy-components:, 3, 5, 0.240477, 0.759523, 0
-dpwr:, 5, 0.8802435456076878, 0.5941655354344233
-D-energy-components:, 3, 6, 0.863785, 0.136215, 0
-dpwr:, 6, 1.0069870419364997, 0.35472339075154585
-D-energy-components:, 3, 7, 0.585239, 0.414761, 0
-dpwr:, 7, 1.0169614533587052, 0.21322445865289832
-D-energy-components:, 3, 8, 0.535346, 0.464654, 0
-dpwr:, 8, 1.1002742200343298, 0.623265498628933
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.07966756820678711
-D-energy-components:, 4, 1, 0.0468976, 0.953102, 0
-dpwr:, 1, 0.26579760671574704, 0.07189021129298956
-D-energy-components:, 4, 2, 0.35602, 0.64398, 0
-dpwr:, 2, 0.528175580889728, 0.6596795148910987
-D-energy-components:, 4, 3, 0.27068, 0.72932, 0
-dpwr:, 3, 0.6854491685263079, 0.3005421253041571
-D-energy-components:, 4, 4, 0.732284, 0.267716, 0
-dpwr:, 4, 0.783377431811592, 0.5880663066200458
-D-energy-components:, 4, 5, 0.261431, 0.738569, 0
-dpwr:, 5, 0.8607144514828621, 0.7295588531345849
-D-energy-components:, 4, 6, 0.829353, 0.170647, 0
-dpwr:, 6, 1.015152030425295, 0.30554099772434606
-D-energy-components:, 4, 7, 0.603026, 0.396974, 0
-dpwr:, 7, 1.0384314734879103, 0.24673894341648742
-D-energy-components:, 4, 8, 0.592482, 0.407518, 0
-dpwr:, 8, 1.0966392149656101, 0.5396650770126294
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09280776977539062
-D-energy-components:, 5, 1, 0.0662302, 0.93377, 0
-dpwr:, 1, 0.34895594992452583, 0.10384524472299073
-D-energy-components:, 5, 2, 0.226367, 0.773633, 0
-dpwr:, 2, 0.490738447617832, 0.4356739544080347
-D-energy-components:, 5, 3, 0.351613, 0.648387, 0
-dpwr:, 3, 0.6527974478809139, 0.4481425123507
-D-energy-components:, 5, 4, 0.710454, 0.289546, 0
-dpwr:, 4, 0.7873816318426072, 0.6139011766780409
-D-energy-components:, 5, 5, 0.295332, 0.704668, 0
-dpwr:, 5, 0.8499993146942633, 0.7699338908264387
-D-energy-components:, 5, 6, 0.77736, 0.22264, 0
-dpwr:, 6, 1.024429460878491, 0.2578911955076916
-D-energy-components:, 5, 7, 0.546257, 0.453743, 0
-dpwr:, 7, 1.0644076666285343, 0.3322131408251663
-D-energy-components:, 5, 8, 0.681176, 0.318824, 0
-dpwr:, 8, 1.0912080621155025, 0.432931740401934
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14443302154541016
-D-energy-components:, 6, 1, 0.0773009, 0.922699, 0
-dpwr:, 1, 0.4127906712654536, 0.0860399668649528
-D-energy-components:, 6, 2, 0.165167, 0.834833, 0
-dpwr:, 2, 0.4415884497225444, 0.3584484766510359
-D-energy-components:, 6, 3, 0.391615, 0.608385, 0
-dpwr:, 3, 0.6419977365450051, 0.5328472337342331
-D-energy-components:, 6, 4, 0.702039, 0.297961, 0
-dpwr:, 4, 0.7889329895481019, 0.6242704622253022
-D-energy-components:, 6, 5, 0.308697, 0.691303, 0
-dpwr:, 5, 0.8465878695825275, 0.7771267587548937
-D-energy-components:, 6, 6, 0.742736, 0.257264, 0
-dpwr:, 6, 1.0291597050650207, 0.2368121142822689
-D-energy-components:, 6, 7, 0.350801, 0.649199, 0
-dpwr:, 7, 1.086072932359417, 0.5782428834882117
-D-energy-components:, 6, 8, 0.737396, 0.262604, 0
-dpwr:, 8, 1.0878689635052696, 0.3795081622229656
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.10989785194396973
-D-energy-components:, 7, 1, 0.12807, 0.87193, 0
-dpwr:, 1, 0.4237414613237853, 0.08405292712306052
-D-energy-components:, 7, 2, 0.190236, 0.809764, 0
-dpwr:, 2, 0.44578070370980216, 0.37490215610134964
-D-energy-components:, 7, 3, 0.394034, 0.605966, 0
-dpwr:, 3, 0.6382302673378553, 0.508227094763859
-D-energy-components:, 7, 4, 0.691881, 0.308119, 0
-dpwr:, 4, 0.7931468861820258, 0.6251503072194667
-D-energy-components:, 7, 5, 0.335703, 0.664297, 0
-dpwr:, 5, 0.8429434922386815, 0.7355775624966431
-D-energy-components:, 7, 6, 0.716117, 0.283883, 0
-dpwr:, 6, 0.9865231609182584, 0.18697860289998966
-D-energy-components:, 7, 7, 0.592896, 0.407104, 0
-dpwr:, 7, 1.0501755817174658, 0.4077764093960339
-D-energy-components:, 7, 8, 0.507261, 0.492739, 0
-dpwr:, 8, 1.1038343097294325, 0.6404816835444186
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09283041954040527
-D-energy-components:, 8, 1, 0.253956, 0.746044, 0
-dpwr:, 1, 0.4547812725154716, 0.08020083733746218
-D-energy-components:, 8, 2, 0.258536, 0.741464, 0
-dpwr:, 2, 0.4574339768574993, 0.42543224668170315
-D-energy-components:, 8, 3, 0.39346, 0.60654, 0
-dpwr:, 3, 0.6278984163475767, 0.43806479968572104
-D-energy-components:, 8, 4, 0.668133, 0.331867, 0
-dpwr:, 4, 0.8052541518094462, 0.6230094255563579
-D-energy-components:, 8, 5, 0.454908, 0.545092, 0
-dpwr:, 5, 0.8261006682422064, 0.5373015422282856
-D-energy-components:, 8, 6, 0.562281, 0.437719, 0
-dpwr:, 6, 0.927944859792419, 0.35266364984631754
-D-energy-components:, 8, 7, 0.614808, 0.385192, 0
-dpwr:, 7, 1.0045628522255505, 0.42073899377174034
-D-energy-components:, 8, 8, 0.497393, 0.502607, 0
-dpwr:, 8, 1.108792554315, 0.7279717672398118
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.08002305030822754
-D-energy-components:, 9, 1, 0.353246, 0.646754, 0
-dpwr:, 1, 0.47376659593612236, 0.5125827722134951
-D-energy-components:, 9, 2, 0.406264, 0.593736, 0
-dpwr:, 2, 0.5012788429465528, 0.07946478028058174
-D-energy-components:, 9, 3, 0.37582, 0.62418, 0
-dpwr:, 3, 0.6135801757468698, 0.3288116237040682
-D-energy-components:, 9, 4, 0.604014, 0.395986, 0
-dpwr:, 4, 0.7814668693238181, 0.22327322644032324
-D-energy-components:, 9, 5, 0.642263, 0.357737, 0
-dpwr:, 5, 0.8241814443502156, 0.6095695047986233
-D-energy-components:, 9, 6, 0.357719, 0.642281, 0
-dpwr:, 6, 0.8949492139663714, 0.6540286383381512
-D-energy-components:, 9, 7, 0.617321, 0.382679, 0
-dpwr:, 7, 0.9590511572130652, 0.46189058607300787
-D-energy-components:, 9, 8, 0.497742, 0.502258, 0
-dpwr:, 8, 1.1106978152214078, 0.7615498171458284
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07642483711242676
-D-energy-components:, 10, 1, 0.450645, 0.549355, 0
-dpwr:, 1, 0.4896492003298964, 0.6285469371615308
-D-energy-components:, 10, 2, 0.55965, 0.44035, 0
-dpwr:, 2, 0.5560451343598191, 0.0903499596303509
-D-energy-components:, 10, 3, 0.336621, 0.663379, 0
-dpwr:, 3, 0.5995699405207225, 0.1959780618291914
-D-energy-components:, 10, 4, 0.593365, 0.406635, 0
-dpwr:, 4, 0.7196106755137285, 0.08289042691568235
-D-energy-components:, 10, 5, 0.620299, 0.379701, 0
-dpwr:, 5, 0.8492467967258347, 0.5777971969564293
-D-energy-components:, 10, 6, 0.283543, 0.716457, 0
-dpwr:, 6, 0.8843373771777039, 0.7772986149184443
-D-energy-components:, 10, 7, 0.618314, 0.381686, 0
-dpwr:, 7, 0.9171675057709648, 0.5159863025112328
-D-energy-components:, 10, 8, 0.499316, 0.500684, 0
-dpwr:, 8, 1.1116210575363994, 0.7756611032715237
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07646036148071289
-D-energy-components:, 11, 1, 0.500002, 0.499998, 0
-dpwr:, 1, 0.4968358647448986, 0.6986360262353924
-D-energy-components:, 11, 2, 0.490408, 0.509592, 0
-dpwr:, 2, 0.5931405141160886, 0.11965861786804133
-D-energy-components:, 11, 3, 0.509591, 0.490409, 0
-dpwr:, 3, 0.5931535863117833, 0.11954218308176906
-D-energy-components:, 11, 4, 0.499999, 0.500001, 0
-dpwr:, 4, 0.6791690130757021, 0.026633379719866956
-D-energy-components:, 11, 5, 0.5, 0.5, 0
-dpwr:, 5, 0.8786838141604552, 0.2997497622839382
-D-energy-components:, 11, 6, 0.362, 0.638, 0
-dpwr:, 6, 0.881977091666069, 0.8023568424744697
-D-energy-components:, 11, 7, 0.638005, 0.361995, 0
-dpwr:, 7, 0.8819818134421863, 0.8023816357258053
-D-energy-components:, 11, 8, 0.499999, 0.500001, 0
-dpwr:, 8, 1.1119173707556913, 0.7797381408707402
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.06052803993225098
-D-energy-components:, 12, 1, 0.500001, 0.499999, 0
-dpwr:, 1, 0.4709868954434172, 0.41845731017621085
-D-energy-components:, 12, 2, 0.5, 0.5, 0
-dpwr:, 2, 0.5460026488335807, 0.3658958857129391
-D-energy-components:, 12, 3, 0.5, 0.5, 0
-dpwr:, 3, 0.6067323336356549, 0.12560615204419626
-D-energy-components:, 12, 4, 0.499999, 0.500001, 0
-dpwr:, 4, 0.7436021910476279, 0.11295231544330911
-D-energy-components:, 12, 5, 0.499995, 0.500005, 0
-dpwr:, 5, 0.8392225951317908, 0.573850559806543
-D-energy-components:, 12, 6, 0.500004, 0.499996, 0
-dpwr:, 6, 0.8822539391893133, 0.7904020720470327
-D-energy-components:, 12, 7, 0.500006, 0.499994, 0
-dpwr:, 7, 0.9369700961990083, 0.4818498954987373
-D-energy-components:, 12, 8, 0.499999, 0.500001, 0
-dpwr:, 8, 1.1112079237958836, 0.77061008284024
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07016348838806152
-D-energy-components:, 13, 1, 0.499999, 0.500001, 0
-dpwr:, 1, 0.37243467691290166, 0.1223740833813474
-D-energy-components:, 13, 2, 0.500002, 0.499998, 0
-dpwr:, 2, 0.5361862884392886, 0.6769327340989899
-D-energy-components:, 13, 3, 0.5, 0.5, 0
-dpwr:, 3, 0.6445723178214436, 0.15055644500912893
-D-energy-components:, 13, 4, 0.499998, 0.500002, 0
-dpwr:, 4, 0.8096891551677099, 0.5562411649880867
-D-energy-components:, 13, 5, 0.499996, 0.500004, 0
-dpwr:, 5, 0.825804393421293, 0.2464350024546788
-D-energy-components:, 13, 6, 0.500008, 0.499992, 0
-dpwr:, 6, 0.8836423042160464, 0.7471141728536403
-D-energy-components:, 13, 7, 0.5, 0.5, 0
-dpwr:, 7, 1.010203217330907, 0.38074698867754087
-D-energy-components:, 13, 8, 0.5, 0.5, 0
-dpwr:, 8, 1.107251471986555, 0.7236183032339155
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09622621536254883
-D-energy-components:, 14, 1, 0.499999, 0.500001, 0
-dpwr:, 1, 0.2520880962287429, 0.06537222988460781
-D-energy-components:, 14, 2, 0.500003, 0.499997, 0
-dpwr:, 2, 0.5428871357208418, 0.776089779273674
-D-energy-components:, 14, 3, 0.500001, 0.499999, 0
-dpwr:, 3, 0.6980810670314974, 0.22096216698502874
-D-energy-components:, 14, 4, 0.5, 0.5, 0
-dpwr:, 4, 0.7893713580516234, 0.5549181091414706
-D-energy-components:, 14, 5, 0.499969, 0.500031, 0
-dpwr:, 5, 0.8884826102636717, 0.6405660798559313
-D-energy-components:, 14, 6, 0.500033, 0.499967, 0
-dpwr:, 6, 0.8978578700405546, 0.3162262953638465
-D-energy-components:, 14, 7, 0.499994, 0.500006, 0
-dpwr:, 7, 1.078841340829401, 0.46522856191784423
-D-energy-components:, 14, 8, 0.500005, 0.499995, 0
-dpwr:, 8, 1.0903856458796717, 0.5462861490109712
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11251688003540039
-D-energy-components:, 15, 1, 0.499999, 0.500001, 0
-dpwr:, 1, 0.12684106903469342, 0.047952797703298834
-D-energy-components:, 15, 2, 0.500003, 0.499997, 0
-dpwr:, 2, 0.5499075072904045, 0.8350614780733144
-D-energy-components:, 15, 3, 0.499999, 0.500001, 0
-dpwr:, 3, 0.7503777100615932, 0.3870295603731526
-D-energy-components:, 15, 4, 0.500004, 0.499996, 0
-dpwr:, 4, 0.7772608508874288, 0.5369475337156477
-D-energy-components:, 15, 5, 0.499997, 0.500003, 0
-dpwr:, 5, 0.9030590134928069, 0.3906213130756244
-D-energy-components:, 15, 6, 0.500003, 0.499997, 0
-dpwr:, 6, 0.9619844143351223, 0.36404230320257
-D-energy-components:, 15, 7, 0.500001, 0.499999, 0
-dpwr:, 7, 1.041906497274037, 0.3229108453858703
-D-energy-components:, 15, 8, 0.499999, 0.500001, 0
-dpwr:, 8, 1.100036744786668, 0.648922709694379
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.24857568740844727
-D-energy-components:, 16, 1, 0, 0, 0
-dpwr:, 1, 0.0, 0.0
-D-energy-components:, 16, 2, 0.500003, 0.499997, 0
-dpwr:, 2, 0.5527092320101995, 0.8567434642230596
-Outputting fields to /tmp/meepg15Lzl/test_output_dpwr_in_objects-0-d.k16.b02.te.h5...
-D-energy-components:, 16, 3, 0.455928, 0.544072, 0
-dpwr:, 3, 0.7732265593069766, 0.528826082855366
-D-energy-components:, 16, 4, 0.544076, 0.455924, 0
-dpwr:, 4, 0.7732298839480536, 0.5288079685695205
-D-energy-components:, 16, 5, 0.5, 0.5, 0
-dpwr:, 5, 0.922996519585588, 0.08910054416430166
-D-energy-components:, 16, 6, 0.125495, 0.874505, 0
-dpwr:, 6, 1.0001711176882835, 0.4012466293260191
-D-energy-components:, 16, 7, 0.874503, 0.125497, 0
-dpwr:, 7, 1.000172003225706, 0.4012520176859986
-D-energy-components:, 16, 8, 0.499991, 0.500009, 0
-.dpwr:, 8, 1.0928209317478468, 0.2872053790863704
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 2.0119807720184326
-done
-/tmp/meepg15Lzl/test_output_dpwr_in_objects-0: 2.01s
-
-/tmp/meepg15Lzl/test_output_efield_z-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013523101806640625
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 16 iterations.
- iteration 1: trace = 13.34219610907316 (195.048% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 5.483795574134645 (83.4846% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 4.748523532084566 (14.3716% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 4.479228674664691 (5.83663% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.407766153594937 (1.60825% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.393474956211726 (0.324754% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.387914820096039 (0.126635% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.384214110536306 (0.0843743% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.382673979920479 (0.0351352% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 4.381187024151515 (0.0339338% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 4.378592064872483 (0.0592471% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.375630652773514 (0.0676568% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.374037327479996 (0.0364202% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.373782477119388 (0.0058266% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.373742613479035 (0.000911427% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 4.373730192660378 (0.000283986% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 4.373724731090828 (0.000124872% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.373723431190648 (2.97207e-05% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 4.373722977266439 (1.03784e-05% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 4.373722547638314 (9.82294e-06% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 4.373721986616824 (1.28271e-05% change)
- linmin: converged after 8 iterations.
- iteration 22: trace = 4.373721450686105 (1.22534e-05% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 4.373721224632515 (5.16845e-06% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 4.373721180253412 (1.01468e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 4.373721172520035 (1.76815e-07% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 4.373721170365219 (4.92674e-08% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 4.373721169530104 (1.90939e-08% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 4.373721169259862 (6.17878e-09% change)
- linmin: converged after 28 iterations.
- iteration 29: trace = 4.373721169186911 (1.66793e-09% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 4.373721169145532 (9.4609e-10% change)
- linmin: converged after 11 iterations.
- iteration 31: trace = 4.373721169066987 (1.79584e-09% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 4.373721168966431 (2.2991e-09% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 4.373721168940524 (5.92319e-10% change)
- linmin: converged after 6 iterations.
- iteration 34: trace = 4.373721168933659 (1.56974e-10% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 4.37372116892797 (1.30067e-10% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 4.373721168920043 (1.81241e-10% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 4.373721168904344 (3.58949e-10% change)
- large trace change predicted (9.95405e-10%)
- linmin: converged after 5 iterations.
- iteration 38: trace = 4.373721168860811 (9.95315e-10% change)
- large trace change predicted (4.53523e-09%)
- linmin: converged after 6 iterations.
- iteration 39: trace = 4.373721168662423 (4.53591e-09% change)
- large trace change predicted (2.07011e-08%)
- linmin: converged after 3 iterations.
- iteration 40: trace = 4.373721167757034 (2.07007e-08% change)
- large trace change predicted (8.12557e-08%)
- linmin: converged after 4 iterations.
- iteration 41: trace = 4.373721164203222 (8.12537e-08% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 4.37372115830691 (1.34812e-07% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 4.373721154436483 (8.84928e-08% change)
- linmin: converged after 11 iterations.
- iteration 44: trace = 4.373721151274946 (7.22848e-08% change)
- large trace change predicted (2.03287e-07%)
- linmin: converged after 6 iterations.
- iteration 45: trace = 4.373721142383832 (2.03285e-07% change)
- large trace change predicted (4.92802e-07%)
- linmin: converged after 6 iterations.
- iteration 46: trace = 4.373721120833393 (4.92725e-07% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 4.37372107793805 (9.80752e-07% change)
- large trace change predicted (2.055e-06%)
- linmin: converged after 6 iterations.
- iteration 48: trace = 4.373720988609533 (2.04239e-06% change)
- linmin: converged after 6 iterations.
- iteration 49: trace = 4.373720903699593 (1.94137e-06% change)
- linmin: converged after 9 iterations.
- iteration 50: trace = 4.373720867145784 (8.3576e-07% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 4.37372085603617 (2.54008e-07% change)
- linmin: converged after 9 iterations.
- iteration 52: trace = 4.373720853582015 (5.61114e-08% change)
- linmin: converged after 5 iterations.
- iteration 53: trace = 4.373720853002698 (1.32454e-08% change)
- linmin: converged after 7 iterations.
- iteration 54: trace = 4.373720852585022 (9.54968e-09% change)
- linmin: converged after 5 iterations.
- iteration 55: trace = 4.373720851986538 (1.36836e-08% change)
- linmin: converged after 8 iterations.
- iteration 56: trace = 4.373720851520712 (1.06506e-08% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 4.373720851245481 (6.29284e-09% change)
- linmin: converged after 7 iterations.
- iteration 58: trace = 4.373720851095249 (3.43487e-09% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 4.373720851044093 (1.16963e-09% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 4.373720851034473 (2.19947e-10% change)
- linmin: converged after 5 iterations.
- iteration 61: trace = 4.373720851032822 (3.7751e-11% change)
-Finished solving for bands 2 to 8 after 61 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259
-elapsed time for k point: 0.16489410400390625
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.357909575996686 (1.16097% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.317128641663713 (0.94019% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.299320136589965 (0.413361% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.292732191285522 (0.15335% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.291500652316352 (0.028693% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.291042414673696 (0.0106784% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.290902808716371 (0.00325348% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 4.2908721193893 (0.000715221% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.29086322736101 (0.000207231% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.290859496337257 (8.69528e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.290858035134088 (3.40539e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.290857390244804 (1.50294e-05% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.290857285462815 (2.44198e-06% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.290857271945756 (3.1502e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.290857267538623 (1.0271e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 4.290857264553208 (6.95762e-08% change)
- linmin: converged after 11 iterations.
- iteration 17: trace = 4.290857263488306 (2.48179e-08% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.290857263235813 (5.88445e-09% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 4.290857263156709 (1.84354e-09% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 4.290857263115525 (9.59807e-10% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 4.290857263096176 (4.50935e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.290857263085615 (2.46136e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.290857263081678 (9.17394e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995
-elapsed time for k point: 0.07683348655700684
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 4.213083007783039 (0.515635% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.209110336657865 (0.0943382% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.208519740783887 (0.0140324% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.208361881259739 (0.00375102% change)
- linmin: converged after 9 iterations.
- iteration 5: trace = 4.208319555170494 (0.00100577% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.208309586621548 (0.000236877% change)
- linmin: converged after 20 iterations.
- iteration 7: trace = 4.208308119593188 (3.48603e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.208307969493156 (3.56675e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.2083079596792 (2.33204e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.208307958636428 (2.47789e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.208307958537226 (2.35728e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.208307958520758 (3.91314e-10% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.208307958519128 (3.87494e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959
-elapsed time for k point: 0.044420480728149414
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.153950019179923 (0.446607% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.15091918802987 (0.0729893% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.15050869675084 (0.00988965% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.150451660631781 (0.00137421% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 4.150445322388979 (0.000152712% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.150444374952527 (2.28273e-05% change)
- linmin: converged after 38 iterations.
- iteration 7: trace = 4.150444119567911 (6.15319e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.150444028145889 (2.2027e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.150444017167716 (2.64506e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.150444015934402 (2.97152e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.150444015836717 (2.35361e-09% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.150444015829235 (1.8027e-10% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.150444015828805 (1.03574e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025
-elapsed time for k point: 0.044381141662597656
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.123910812539464 (0.437379% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.120357431810314 (0.0862025% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.11975343523068 (0.0146599% change)
- linmin: converged after 12 iterations.
- iteration 4: trace = 4.119635726773534 (0.00285721% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.119609536145701 (0.000635753% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.119601717815895 (0.000189783% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.119598937494709 (6.74901e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.119598626308932 (7.55379e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.119598600539519 (6.25532e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.119598598763422 (4.31134e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.119598598629699 (3.24603e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.119598598622139 (1.83496e-10% change)
- linmin: converged after 9 iterations.
- iteration 13: trace = 4.119598598621693 (1.08446e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269
-elapsed time for k point: 0.044402360916137695
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.117165244646566 (0.467232% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.112183070107313 (0.121083% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.111188770166868 (0.0241823% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.110889360751742 (0.00728306% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 4.11080703996452 (0.00200253% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 4.110783674084841 (0.000568403% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.110777732801953 (0.000144529% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.110777279787365 (1.10202e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.110777245125225 (8.43202e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.110777242910481 (5.38765e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.110777242738061 (4.19433e-09% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.110777242727878 (2.47714e-10% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.110777242725122 (6.70437e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856
-elapsed time for k point: 0.044219970703125
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.110059673681176 (0.898081% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.101196127928676 (0.215888% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.099627971489972 (0.0382439% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.099504340254176 (0.00301572% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.099491102143227 (0.00032292% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.099490015388635 (2.65095e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.099489970449423 (1.09621e-06% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.09948996603966 (1.07569e-07% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.099489964533704 (3.67352e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.099489964290493 (5.93271e-09% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.099489964275826 (3.57785e-10% change)
- linmin: converged after 16 iterations.
- iteration 12: trace = 4.0994899642748 (2.50237e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714
-elapsed time for k point: 0.04102349281311035
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.085144174621296 (0.762403% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.08011930367582 (0.123079% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.079494012385525 (0.0153265% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.079455619800634 (0.000941116% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.079453223619909 (5.87378e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.079452946245483 (6.7993e-06% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.07945290434498 (1.02711e-06% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.079452897007465 (1.79865e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.079452895879314 (2.76545e-08% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.079452895806834 (1.7767e-09% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.079452895803481 (8.21893e-11% change)
-Finished solving for bands 1 to 8 after 11 iterations.
-tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395
-elapsed time for k point: 0.03781414031982422
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.072736189550774 (0.634086% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.069415883231338 (0.0815584% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.068882752148268 (0.0131018% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.068777004347965 (0.00259897% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.068760919591241 (0.000395322% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.06875937327654 (3.80046e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.068759282973239 (2.21943e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.068759277104999 (1.44227e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.068759276275498 (2.03871e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.068759276139259 (3.34843e-09% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.068759276129624 (2.36803e-10% change)
- linmin: converged after 17 iterations.
- iteration 12: trace = 4.068759276129136 (1.19842e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203
-elapsed time for k point: 0.04095268249511719
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.08041013089164 (0.563614% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.077287055235417 (0.0765676% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.076189573111655 (0.0269206% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.075628903758915 (0.0137557% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.075534314324658 (0.00232088% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.075527488473313 (0.000167484% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.075526996525165 (1.20708e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.075526953563658 (1.05413e-06% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.075526950544544 (7.40791e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.075526949795472 (1.83798e-08% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.075526949476022 (7.83823e-09% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.075526949369352 (2.61734e-09% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.075526949350733 (4.56846e-10% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.075526949349669 (2.6108e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273
-elapsed time for k point: 0.047408342361450195
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.109437150043243 (0.504849% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.105335792815202 (0.0998532% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 4.100307330549152 (0.122561% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.093803283589705 (0.158749% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 4.092241780664407 (0.0381504% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.092157123982815 (0.00206873% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.092151257465511 (0.00014336% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.0921506669632 (1.44301e-05% change)
- linmin: converged after 29 iterations.
- iteration 9: trace = 4.092150601221075 (1.60654e-06% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.092150512656763 (2.16425e-06% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.09215044281785 (1.70666e-06% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.092150434447509 (2.04546e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.092150433678662 (1.87883e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.092150433621977 (1.38522e-09% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.092150433618236 (9.14191e-11% change)
-Finished solving for bands 1 to 8 after 15 iterations.
-tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351
-elapsed time for k point: 0.05085420608520508
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.126496078681969 (1.11623% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 4.089161341909401 (0.908868% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.060628566573646 (0.700209% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.050071416799578 (0.260326% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.047172154678076 (0.0716111% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.046719139224234 (0.011194% change)
- linmin: converged after 11 iterations.
- iteration 7: trace = 4.046656969292219 (0.00153632% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.046652828279984 (0.000102332% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 4.046652402979405 (1.05099e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.04665226257679 (3.4696e-06% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 4.046652203574181 (1.45806e-06% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.04665218541018 (4.48865e-07% change)
- linmin: converged after 23 iterations.
- iteration 13: trace = 4.046652183788301 (4.00795e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.046652183683065 (2.60056e-09% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.046652183677345 (1.41348e-10% change)
- linmin: converged after 16 iterations.
- iteration 16: trace = 4.046652183676483 (2.1312e-11% change)
-Finished solving for bands 1 to 8 after 16 iterations.
-tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991
-elapsed time for k point: 0.05404210090637207
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.050135770394939 (0.874564% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.045155903188745 (0.123031% change)
- linmin: converged after 7 iterations.
- iteration 3: trace = 4.04457112881917 (0.0144572% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.044524919705128 (0.0011425% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.044514961032788 (0.000246226% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.044513397485701 (3.86585e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.04451325570943 (3.5054e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.044513238601187 (4.22999e-07% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.044513236602917 (4.94069e-08% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.044513236418492 (4.55988e-09% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.044513236398149 (5.02974e-10% change)
- linmin: converged after 7 iterations.
- iteration 12: trace = 4.044513236396847 (3.21935e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446
-elapsed time for k point: 0.04092144966125488
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.118867255840204 (0.847851% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.114002611070052 (0.118176% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.113487291394074 (0.0125268% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.113430197532734 (0.00138798% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.113416441704805 (0.000334413% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.113415367601677 (2.61122e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.113415271030414 (2.34771e-06% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.113415260853634 (2.47405e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.113415259902214 (2.31297e-08% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.113415259769443 (3.22776e-09% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.113415259756536 (3.13778e-10% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.11341525975549 (2.54357e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551
-elapsed time for k point: 0.0409088134765625
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.250028477177 (0.917879% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.242313588668811 (0.18169% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.241112167052032 (0.028324% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.240834092995955 (0.00655685% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.240767169311717 (0.00157809% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.240753129287403 (0.000331073% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.240750094772398 (7.15561e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.240749691476934 (9.51e-06% change)
- linmin: converged after 33 iterations.
- iteration 9: trace = 4.240749647343285 (1.0407e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.240749642492671 (1.14381e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.240749642080627 (9.71629e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.240749642034733 (1.08221e-09% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.240749642029137 (1.31968e-10% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.240749642028246 (2.10067e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882
-elapsed time for k point: 0.047528982162475586
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.407939681690654 (1.14495% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.390606022122198 (0.394012% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.386367409936335 (0.0965848% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.384518225127845 (0.0421664% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.382809892382419 (0.0389704% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.380355369238089 (0.0560191% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.377811906462298 (0.0580821% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.375795817305982 (0.046063% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.374248315398593 (0.0353713% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.373812357837435 (0.00996695% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.373736281003573 (0.00173939% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.373725631015397 (0.000243499% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.373723713248079 (4.38475e-05% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 4.373723043717632 (1.5308e-05% change)
- linmin: converged after 9 iterations.
- iteration 15: trace = 4.373722607982313 (9.96257e-06% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 4.373722430078789 (4.06755e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 4.373722281618466 (3.39437e-06% change)
- large trace change predicted (8.38717e-06%)
- linmin: converged after 5 iterations.
- iteration 18: trace = 4.373721914772871 (8.38749e-06% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 4.373721775011068 (3.19549e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 4.373721750853678 (5.5233e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 4.373721743706459 (1.63413e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 4.373721741956021 (4.00217e-08% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 4.373721741656272 (6.8534e-09% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 4.37372174151351 (3.26409e-09% change)
- linmin: converged after 12 iterations.
- iteration 25: trace = 4.373721741466444 (1.0761e-09% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 4.373721741452075 (3.28549e-10% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 4.373721741432764 (4.41518e-10% change)
- large trace change predicted (8.94441e-10%)
- linmin: converged after 10 iterations.
- iteration 28: trace = 4.373721741393643 (8.94449e-10% change)
- linmin: converged after 12 iterations.
- iteration 29: trace = 4.373721741340017 (1.22611e-09% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 4.37372174131413 (5.91872e-10% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 4.37372174130407 (2.29999e-10% change)
- large trace change predicted (8.8515e-10%)
- linmin: converged after 4 iterations.
- iteration 32: trace = 4.373721741265362 (8.85026e-10% change)
- large trace change predicted (1.78977e-09%)
- linmin: converged after 3 iterations.
- iteration 33: trace = 4.373721741187082 (1.78977e-09% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 4.373721741036555 (3.44162e-09% change)
- large trace change predicted (3.16488e-08%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 4.373721739652334 (3.16486e-08% change)
- large trace change predicted (1.81295e-07%)
- linmin: converged after 4 iterations.
- iteration 36: trace = 4.373721731723725 (1.81278e-07% change)
- large trace change predicted (7.42215e-07%)
- linmin: converged after 4 iterations.
- iteration 37: trace = 4.373721699293694 (7.41474e-07% change)
- large trace change predicted (1.81306e-06%)
- linmin: converged after 7 iterations.
- iteration 38: trace = 4.373721620557427 (1.80021e-06% change)
- large trace change predicted (3.99382e-06%)
- linmin: converged after 7 iterations.
- iteration 39: trace = 4.373721449599707 (3.90875e-06% change)
- linmin: converged after 16 iterations.
- iteration 40: trace = 4.373721351488157 (2.24321e-06% change)
- linmin: converged after 9 iterations.
- iteration 41: trace = 4.373721289289993 (1.42209e-06% change)
- linmin: converged after 7 iterations.
- iteration 42: trace = 4.373721192919876 (2.20339e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 4.373721122950544 (1.59977e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 4.37372102588002 (2.2194e-06% change)
- linmin: converged after 6 iterations.
- iteration 45: trace = 4.373720919585161 (2.43031e-06% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 4.373720871332154 (1.10325e-06% change)
- linmin: converged after 10 iterations.
- iteration 47: trace = 4.373720860378917 (2.50433e-07% change)
- linmin: converged after 13 iterations.
- iteration 48: trace = 4.373720857832792 (5.82142e-08% change)
- linmin: converged after 8 iterations.
- iteration 49: trace = 4.373720856551008 (2.93065e-08% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 4.373720854512562 (4.66067e-08% change)
- linmin: converged after 5 iterations.
- iteration 51: trace = 4.373720852662255 (4.23051e-08% change)
- linmin: converged after 18 iterations.
- iteration 52: trace = 4.373720851889837 (1.76604e-08% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 4.373720851692727 (4.50671e-09% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 4.373720851644104 (1.1117e-09% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 4.373720851631798 (2.81376e-10% change)
- linmin: converged after 19 iterations.
- iteration 56: trace = 4.37372085162005 (2.68603e-10% change)
- linmin: converged after 28 iterations.
- iteration 57: trace = 4.373720851604448 (3.56716e-10% change)
- linmin: converged after 16 iterations.
- iteration 58: trace = 4.373720851597927 (1.49095e-10% change)
- linmin: converged after 16 iterations.
- iteration 59: trace = 4.373720851594072 (8.81331e-11% change)
-Finished solving for bands 2 to 8 after 59 iterations.
-tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259
-elapsed time for k point: 0.15975499153137207
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0>
-Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0>
-Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0>
-Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0>
-Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0>
-Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386%
-Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893%
-total elapsed time for run: 0.9829206466674805
-done
-Fixing e-field (band 8) phase by 2.441e-08 + -1i; max ampl. = 1.49941
-FOutputting fields to /tmp/meepg15Lzl/test_output_efield_z-0-e.k16.b08.z.tm.h5...
-/tmp/meepg15Lzl/test_output_efield_z-0: 0.99s
-
-/tmp/meepg15Lzl/test_output_field_to_file-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013909339904785156
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14316320419311523
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.39820051193237305
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08792257308959961
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.08061480522155762
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09345531463623047
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14590191841125488
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.1102139949798584
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.0937502384185791
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.08070731163024902
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07730507850646973
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07709693908691406
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.06093597412109375
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.0708322525024414
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09711074829101562
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11330246925354004
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.25415658950805664
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 1.9873180389404297
-done
-epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill"
-.Outputting /tmp/meepg15Lzl/test_output_field_to_file-0-epsilon.h5...
-/tmp/meepg15Lzl/test_output_field_to_file-0: 2.00s
-
-/tmp/meepg15Lzl/test_output_tot_pwr-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013709068298339844
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14354729652404785
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.3998899459838867
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08794069290161133
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.0818016529083252
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.0964970588684082
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14873290061950684
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.11152839660644531
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09417486190795898
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.08096647262573242
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07816672325134277
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07745957374572754
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.06153368949890137
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07150936126708984
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.0974278450012207
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11374425888061523
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.2550981044769287
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 2.002636671066284
-done
-D-energy-components:, 16, 8, 0.499991, 0.500009, 0
-B-energy-components:, 16, 8, 0, 0, 1
-Outputting /tmp/meepg15Lzl/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5...
-D-energy-components:, 16, 8, 0.499991, 0.500009, 0
-B-energy-components:, 16, 8, 0, 0, 1
-./tmp/meepg15Lzl/test_output_tot_pwr-0: 2.01s
-
-/tmp/meepg15Lzl/test_point_defect_state-0
-========================
-Initializing eigensolver data
-Computing 50 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 10 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.03014349937438965
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50
-Solving for bands 1 to 10...
- near maximum in trace
- linmin: converged after 12 iterations.
- iteration 1: trace = 0.9773582023559163 (198.958% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.3161530410987907 (102.234% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 0.275770780541823 (13.6444% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.2578977888964539 (6.69816% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 0.2538047517632808 (1.59977% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 0.252521666448504 (0.506821% change)
- linmin: converged after 7 iterations.
- iteration 7: trace = 0.2513324422133906 (0.472051% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.250524545611766 (0.321963% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.2503563741415212 (0.0671503% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.2503392642292798 (0.00683446% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.2503364696617258 (0.00111632% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.2503356979333106 (0.000308277% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.2503350629329613 (0.00025366% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 0.2503346861323358 (0.000150519% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.2503342765388505 (0.000163618% change)
- large trace change predicted (0.000678429%)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.2503325842641612 (0.000676008% change)
- large trace change predicted (0.00631306%)
- linmin: converged after 5 iterations.
- iteration 17: trace = 0.2503200648277745 (0.00500125% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 0.2503038592917609 (0.00647414% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 0.2502978020836445 (0.00241997% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 0.2502965572166423 (0.000497356% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 0.250295870716234 (0.000274275% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 0.2502955615722041 (0.000123512% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.2502955228253114 (1.54805e-05% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 0.2502955176855845 (2.05346e-06% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 0.2502955170624709 (2.48951e-07% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.250295516776108 (1.1441e-07% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 0.2502955164556004 (1.28052e-07% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 0.2502955162302424 (9.00368e-08% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 0.2502955158423098 (1.5499e-07% change)
- large trace change predicted (7.06242e-07%)
- linmin: converged after 4 iterations.
- iteration 30: trace = 0.2502955140746217 (7.0624e-07% change)
- large trace change predicted (1.92421e-06%)
- linmin: converged after 5 iterations.
- iteration 31: trace = 0.2502955092582698 (1.92427e-06% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 0.2502955074678371 (7.15328e-07% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 0.2502955071409597 (1.30597e-07% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 0.2502955070820969 (2.35173e-08% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 0.2502955070452446 (1.47235e-08% change)
- linmin: converged after 2 iterations.
- iteration 36: trace = 0.2502955070312232 (5.60196e-09% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 0.2502955070289656 (9.01967e-10% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.2502955070287197 (9.82274e-11% change)
-Finished solving for bands 1 to 10 after 38 iterations.
-Solving for bands 11 to 20...
- near maximum in trace
- linmin: converged after 9 iterations.
- iteration 1: trace = 2.764077242282496 (197.059% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 0.7088244637206618 (118.359% change)
- linmin: converged after 10 iterations.
- iteration 3: trace = 0.5830461774916993 (19.4723% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.5699441115556886 (2.27271% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 0.5601912957140796 (1.72596% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.554977005635624 (0.935158% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.5536217797509715 (0.244493% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.5527881756235467 (0.150686% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 0.5525197785497575 (0.0485651% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.5524120847066949 (0.0194933% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 0.5523393402697568 (0.0131694% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.5523162607162734 (0.0041786% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.5523079347092207 (0.00150748% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 0.5523053045770734 (0.000476209% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.5523046348502885 (0.00012126% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.5523044939040401 (2.55197e-05% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.5523044363704386 (1.0417e-05% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 0.5523044197503095 (3.00923e-06% change)
- linmin: converged after 7 iterations.
- iteration 19: trace = 0.5523044169604693 (5.05127e-07% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 0.5523044161634481 (1.44308e-07% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 0.5523044158163604 (6.28435e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 0.5523044156915484 (2.25984e-08% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 0.5523044156387963 (9.55128e-09% change)
- linmin: converged after 9 iterations.
- iteration 24: trace = 0.5523044156091683 (5.36443e-09% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 0.5523044156002892 (1.60765e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.5523044155970435 (5.87672e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 0.5523044155956081 (2.59894e-10% change)
- linmin: converged after 7 iterations.
- iteration 28: trace = 0.552304415595374 (4.23743e-11% change)
-Finished solving for bands 11 to 20 after 28 iterations.
-Solving for bands 21 to 30...
- near maximum in trace
- linmin: converged after 9 iterations.
- iteration 1: trace = 5.040666553138821 (194.661% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 1.784736938401247 (95.4062% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.523333414368856 (15.804% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 1.441532080001039 (5.51805% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 1.405219437466541 (2.55116% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 1.388014989232303 (1.23187% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 1.376962867982376 (0.799437% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 1.37268195131882 (0.31138% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 1.370878341061495 (0.13148% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.370189509318599 (0.0502601% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.369866378231612 (0.0235857% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.369627804103043 (0.0174174% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.369391088200206 (0.0172847% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 1.369169936423073 (0.0161509% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 1.369039043718526 (0.00956046% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 1.36896709991595 (0.0052552% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 1.368919763117032 (0.00345791% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 1.368881565102084 (0.00279042% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 1.368847148217092 (0.00251427% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 1.368816057044509 (0.00227137% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 1.368795335803253 (0.00151382% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 1.368783116283498 (0.000892725% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 1.368774313878865 (0.000643085% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 1.36876702717065 (0.000532354% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 1.368760736433417 (0.000459593% change)
- linmin: converged after 8 iterations.
- iteration 26: trace = 1.368755530414703 (0.000380346% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 1.368752119509855 (0.000249198% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 1.368749700078314 (0.000176762% change)
- linmin: converged after 13 iterations.
- iteration 29: trace = 1.368747854834259 (0.000134812% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 1.368746241521253 (0.000117868% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 1.368745103675057 (8.31306e-05% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 1.368744406365467 (5.09452e-05% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 1.368744106172826 (2.1932e-05% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 1.36874397809044 (9.35766e-06% change)
- linmin: converged after 5 iterations.
- iteration 35: trace = 1.368743922574262 (4.05599e-06% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 1.368743896765322 (1.88559e-06% change)
- linmin: converged after 2 iterations.
- iteration 37: trace = 1.368743884092236 (9.25892e-07% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 1.368743877674393 (4.68886e-07% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 1.368743873564827 (3.00244e-07% change)
- linmin: converged after 2 iterations.
- iteration 40: trace = 1.368743870515095 (2.22812e-07% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 1.368743865625254 (3.5725e-07% change)
- linmin: converged after 2 iterations.
- iteration 42: trace = 1.368743856077474 (6.97558e-07% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 1.368743837481702 (1.3586e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 1.368743804106323 (2.43839e-06% change)
- linmin: converged after 5 iterations.
- iteration 45: trace = 1.368743762212519 (3.06075e-06% change)
- linmin: converged after 5 iterations.
- iteration 46: trace = 1.368743718468747 (3.19591e-06% change)
- linmin: converged after 5 iterations.
- iteration 47: trace = 1.368743667116035 (3.75181e-06% change)
- linmin: converged after 5 iterations.
- iteration 48: trace = 1.368743567909835 (7.24798e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 1.368743413508752 (1.12805e-05% change)
- linmin: converged after 6 iterations.
- iteration 50: trace = 1.368743170382022 (1.77628e-05% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 1.368742909640436 (1.90497e-05% change)
- linmin: converged after 6 iterations.
- iteration 52: trace = 1.368742678084064 (1.69174e-05% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 1.368742429352863 (1.81722e-05% change)
- linmin: converged after 11 iterations.
- iteration 54: trace = 1.368741979799262 (3.28443e-05% change)
- large trace change predicted (7.74578e-05%)
- linmin: converged after 5 iterations.
- iteration 55: trace = 1.368740938896419 (7.60482e-05% change)
- linmin: converged after 5 iterations.
- iteration 56: trace = 1.368739090064356 (0.000135075% change)
- linmin: converged after 8 iterations.
- iteration 57: trace = 1.368737088985244 (0.000146199% change)
- linmin: converged after 5 iterations.
- iteration 58: trace = 1.368735675184446 (0.000103292% change)
- linmin: converged after 8 iterations.
- iteration 59: trace = 1.36873489139564 (5.72637e-05% change)
- linmin: converged after 6 iterations.
- iteration 60: trace = 1.368734383052895 (3.71396e-05% change)
- linmin: converged after 5 iterations.
- iteration 61: trace = 1.368733869799367 (3.74984e-05% change)
- linmin: converged after 7 iterations.
- iteration 62: trace = 1.368733229784598 (4.67596e-05% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 1.368732612888608 (4.50706e-05% change)
- linmin: converged after 5 iterations.
- iteration 64: trace = 1.368732103624983 (3.7207e-05% change)
- linmin: converged after 9 iterations.
- iteration 65: trace = 1.36873178435718 (2.33258e-05% change)
- linmin: converged after 5 iterations.
- iteration 66: trace = 1.368731593555578 (1.394e-05% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 1.368731481643516 (8.17633e-06% change)
- linmin: converged after 5 iterations.
- iteration 68: trace = 1.368731406757154 (5.47122e-06% change)
- linmin: converged after 5 iterations.
- iteration 69: trace = 1.368731346620766 (4.39359e-06% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 70: trace = 1.368731326396683 (1.47758e-06% change)
- linmin: converged after 2 iterations.
- iteration 71: trace = 1.368731305812751 (1.50387e-06% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 1.368731292685496 (9.59082e-07% change)
- linmin: converged after 6 iterations.
- iteration 73: trace = 1.368731274190961 (1.35122e-06% change)
- linmin: converged after 2 iterations.
- iteration 74: trace = 1.36873124683439 (1.99868e-06% change)
- linmin: converged after 2 iterations.
- iteration 75: trace = 1.368731222076538 (1.80882e-06% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 1.368731209365183 (9.28696e-07% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 1.368731204980154 (3.20372e-07% change)
- linmin: converged after 2 iterations.
- iteration 78: trace = 1.368731202164322 (2.05726e-07% change)
- linmin: converged after 3 iterations.
- iteration 79: trace = 1.368731199544978 (1.9137e-07% change)
- linmin: converged after 2 iterations.
- iteration 80: trace = 1.368731196862976 (1.95948e-07% change)
- linmin: converged after 2 iterations.
- iteration 81: trace = 1.368731195121577 (1.27227e-07% change)
- linmin: converged after 2 iterations.
- iteration 82: trace = 1.368731194394966 (5.30864e-08% change)
- linmin: converged after 2 iterations.
- iteration 83: trace = 1.368731194038443 (2.60477e-08% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 1.368731193798584 (1.75242e-08% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 1.368731193444766 (2.58501e-08% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 1.368731192939273 (3.69315e-08% change)
- linmin: converged after 2 iterations.
- iteration 87: trace = 1.368731192445322 (3.60883e-08% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 1.368731191973515 (3.44704e-08% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 1.3687311914594 (3.75614e-08% change)
- linmin: converged after 4 iterations.
- iteration 90: trace = 1.368731190769489 (5.04052e-08% change)
- linmin: converged after 2 iterations.
- iteration 91: trace = 1.368731189492628 (9.32879e-08% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 1.368731187985266 (1.10128e-07% change)
- linmin: converged after 3 iterations.
- iteration 93: trace = 1.368731186086125 (1.38752e-07% change)
- linmin: converged after 6 iterations.
- iteration 94: trace = 1.36873118302204 (2.23863e-07% change)
- linmin: converged after 4 iterations.
- iteration 95: trace = 1.368731177617109 (3.94886e-07% change)
- large trace change predicted (9.62764e-07%)
- linmin: converged after 16 iterations.
- iteration 96: trace = 1.368731164440175 (9.62712e-07% change)
- large trace change predicted (1.97299e-06%)
- linmin: converged after 4 iterations.
- iteration 97: trace = 1.36873113743805 (1.97279e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 1.368731113438422 (1.75342e-06% change)
- linmin: converged after 5 iterations.
- iteration 99: trace = 1.368731088527767 (1.81998e-06% change)
- linmin: converged after 6 iterations.
- iteration 100: trace = 1.368731069143642 (1.41621e-06% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 1.368731058828905 (7.53599e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 1.368731053231001 (4.08985e-07% change)
- linmin: converged after 14 iterations.
- iteration 103: trace = 1.368731050633044 (1.89808e-07% change)
- linmin: converged after 4 iterations.
- iteration 104: trace = 1.368731049719111 (6.67723e-08% change)
- linmin: converged after 4 iterations.
- iteration 105: trace = 1.368731049381032 (2.47002e-08% change)
- linmin: converged after 4 iterations.
- iteration 106: trace = 1.368731049212438 (1.23175e-08% change)
- linmin: converged after 4 iterations.
- iteration 107: trace = 1.368731049112461 (7.30433e-09% change)
- linmin: converged after 5 iterations.
- iteration 108: trace = 1.368731049041643 (5.17401e-09% change)
- linmin: converged after 4 iterations.
- iteration 109: trace = 1.368731048989907 (3.77985e-09% change)
- linmin: converged after 5 iterations.
- iteration 110: trace = 1.368731048949556 (2.94805e-09% change)
- linmin: converged after 12 iterations.
- iteration 111: trace = 1.368731048927728 (1.59475e-09% change)
- linmin: converged after 7 iterations.
- iteration 112: trace = 1.368731048915437 (8.98038e-10% change)
- linmin: converged after 4 iterations.
- iteration 113: trace = 1.368731048898766 (1.21795e-09% change)
- linmin: converged after 5 iterations.
- iteration 114: trace = 1.368731048867242 (2.3032e-09% change)
- large trace change predicted (6.63169e-09%)
- linmin: converged after 4 iterations.
- iteration 115: trace = 1.368731048776475 (6.63145e-09% change)
- large trace change predicted (2.53819e-08%)
- linmin: converged after 4 iterations.
- iteration 116: trace = 1.368731048429068 (2.53817e-08% change)
- large trace change predicted (6.62506e-08%)
- linmin: converged after 7 iterations.
- iteration 117: trace = 1.368731047522245 (6.62528e-08% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 1.368731045910584 (1.17749e-07% change)
- linmin: converged after 5 iterations.
- iteration 119: trace = 1.368731044212744 (1.24045e-07% change)
- linmin: converged after 4 iterations.
- iteration 120: trace = 1.368731043116591 (8.00853e-08% change)
- linmin: converged after 4 iterations.
- iteration 121: trace = 1.368731041987232 (8.25114e-08% change)
- large trace change predicted (1.95931e-07%)
- linmin: converged after 7 iterations.
- iteration 122: trace = 1.368731039305491 (1.95929e-07% change)
- large trace change predicted (5.72233e-07%)
- linmin: converged after 5 iterations.
- iteration 123: trace = 1.368731031475412 (5.72069e-07% change)
- large trace change predicted (1.3697e-06%)
- linmin: converged after 5 iterations.
- iteration 124: trace = 1.368731012741541 (1.3687e-06% change)
- linmin: converged after 6 iterations.
- iteration 125: trace = 1.368730990264535 (1.64218e-06% change)
- linmin: converged after 8 iterations.
- iteration 126: trace = 1.368730976167249 (1.02995e-06% change)
- linmin: converged after 5 iterations.
- iteration 127: trace = 1.368730969434909 (4.91867e-07% change)
- linmin: converged after 5 iterations.
- iteration 128: trace = 1.368730962738434 (4.89247e-07% change)
- large trace change predicted (1.0363e-06%)
- linmin: converged after 5 iterations.
- iteration 129: trace = 1.368730948542338 (1.03717e-06% change)
- large trace change predicted (2.09757e-06%)
- linmin: converged after 5 iterations.
- iteration 130: trace = 1.368730919747172 (2.10379e-06% change)
- linmin: converged after 5 iterations.
- iteration 131: trace = 1.368730881719372 (2.77833e-06% change)
- linmin: converged after 6 iterations.
- iteration 132: trace = 1.368730850739533 (2.2634e-06% change)
- linmin: converged after 5 iterations.
- iteration 133: trace = 1.368730836018361 (1.07553e-06% change)
- linmin: converged after 6 iterations.
- iteration 134: trace = 1.368730830348684 (4.14229e-07% change)
- linmin: converged after 3 iterations.
- iteration 135: trace = 1.36873082685028 (2.55595e-07% change)
- linmin: converged after 4 iterations.
- iteration 136: trace = 1.368730824073477 (2.02874e-07% change)
- linmin: converged after 5 iterations.
- iteration 137: trace = 1.368730822419339 (1.20852e-07% change)
- linmin: converged after 4 iterations.
- iteration 138: trace = 1.368730821974349 (3.25111e-08% change)
- linmin: converged after 5 iterations.
- iteration 139: trace = 1.368730821797337 (1.29325e-08% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 140: trace = 1.36873082173381 (4.64129e-09% change)
- linmin: converged after 2 iterations.
- iteration 141: trace = 1.368730821659028 (5.46361e-09% change)
- linmin: converged after 12 iterations.
- iteration 142: trace = 1.368730821514677 (1.05463e-08% change)
- linmin: converged after 2 iterations.
- iteration 143: trace = 1.36873082127949 (1.71829e-08% change)
- linmin: converged after 2 iterations.
- iteration 144: trace = 1.368730821006482 (1.9946e-08% change)
- linmin: converged after 2 iterations.
- iteration 145: trace = 1.368730820791103 (1.57356e-08% change)
- linmin: converged after 3 iterations.
- iteration 146: trace = 1.368730820664076 (9.28066e-09% change)
- linmin: converged after 3 iterations.
- iteration 147: trace = 1.368730820561719 (7.47823e-09% change)
- linmin: converged after 2 iterations.
- iteration 148: trace = 1.368730820423973 (1.00638e-08% change)
- linmin: converged after 2 iterations.
- iteration 149: trace = 1.368730820282637 (1.0326e-08% change)
- linmin: converged after 6 iterations.
- iteration 150: trace = 1.368730820163353 (8.71496e-09% change)
- linmin: converged after 2 iterations.
- iteration 151: trace = 1.368730820033991 (9.45121e-09% change)
- large trace change predicted (1.90732e-08%)
- linmin: converged after 2 iterations.
- iteration 152: trace = 1.368730819772934 (1.90729e-08% change)
- linmin: converged after 2 iterations.
- iteration 153: trace = 1.368730819301536 (3.44406e-08% change)
- linmin: converged after 4 iterations.
- iteration 154: trace = 1.368730818650667 (4.75527e-08% change)
- linmin: converged after 2 iterations.
- iteration 155: trace = 1.368730817733782 (6.6988e-08% change)
- linmin: converged after 8 iterations.
- iteration 156: trace = 1.368730816601199 (8.27469e-08% change)
- linmin: converged after 4 iterations.
- iteration 157: trace = 1.368730814812392 (1.30691e-07% change)
- linmin: converged after 4 iterations.
- iteration 158: trace = 1.368730811403355 (2.49066e-07% change)
- linmin: converged after 7 iterations.
- iteration 159: trace = 1.368730806806086 (3.35878e-07% change)
- linmin: converged after 8 iterations.
- iteration 160: trace = 1.368730803017133 (2.76822e-07% change)
- linmin: converged after 3 iterations.
- iteration 161: trace = 1.368730799847216 (2.31595e-07% change)
- linmin: converged after 11 iterations.
- iteration 162: trace = 1.368730796328044 (2.57112e-07% change)
- linmin: converged after 8 iterations.
- iteration 163: trace = 1.368730793064505 (2.38435e-07% change)
- linmin: converged after 5 iterations.
- iteration 164: trace = 1.368730790362386 (1.97418e-07% change)
- linmin: converged after 3 iterations.
- iteration 165: trace = 1.36873078878541 (1.15214e-07% change)
- linmin: converged after 5 iterations.
- iteration 166: trace = 1.368730787826099 (7.00877e-08% change)
- linmin: converged after 7 iterations.
- iteration 167: trace = 1.368730787041913 (5.7293e-08% change)
- linmin: converged after 5 iterations.
- iteration 168: trace = 1.368730786327404 (5.22023e-08% change)
- linmin: converged after 10 iterations.
- iteration 169: trace = 1.368730785825024 (3.6704e-08% change)
- linmin: converged after 4 iterations.
- iteration 170: trace = 1.368730785560769 (1.93066e-08% change)
- linmin: converged after 4 iterations.
- iteration 171: trace = 1.368730785470285 (6.6108e-09% change)
- linmin: converged after 5 iterations.
- iteration 172: trace = 1.368730785440339 (2.18785e-09% change)
- linmin: converged after 6 iterations.
- iteration 173: trace = 1.368730785430635 (7.08963e-10% change)
- linmin: converged after 3 iterations.
- iteration 174: trace = 1.368730785427708 (2.13912e-10% change)
- linmin: converged after 4 iterations.
- iteration 175: trace = 1.368730785426833 (6.38849e-11% change)
-Finished solving for bands 21 to 30 after 175 iterations.
-Solving for bands 31 to 40...
- near maximum in trace
- linmin: converged after 9 iterations.
- iteration 1: trace = 7.230106530170506 (192.441% change)
- linmin: converged after 11 iterations.
- iteration 2: trace = 2.817364100690525 (87.8379% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 2.383772433885725 (16.673% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 2.264181950333428 (5.14594% change)
- linmin: converged after 12 iterations.
- iteration 5: trace = 2.205266188017869 (2.63638% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.183248748637495 (1.00341% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 2.173760375776314 (0.435545% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 2.167774122084664 (0.275767% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 2.16358040199555 (0.193645% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 2.159739056009329 (0.177704% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.15702209476702 (0.12588% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.155362898862326 (0.0769503% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.154174696420811 (0.0551429% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 2.153097711184035 (0.0500078% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 2.152356411443999 (0.0344354% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 2.151804495845252 (0.0256457% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 2.151338212081666 (0.0216718% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 2.151061653838748 (0.012856% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 2.150823283589471 (0.0110821% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 2.150656546131968 (0.00775256% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 2.150547247757261 (0.00508222% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.150480111512736 (0.00312187% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 2.150447077012171 (0.00153616% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 2.150426791487532 (0.000943321% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 2.150415527122207 (0.000523821% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 2.150409797922104 (0.000266423% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 2.150405288663566 (0.000209693% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 2.15040214025945 (0.00014641% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 2.150399521550649 (0.000121778% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 2.150396649501039 (0.000133559% change)
- linmin: converged after 6 iterations.
- iteration 31: trace = 2.150393098810755 (0.000165118% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 2.150387654321853 (0.000253186% change)
- linmin: converged after 7 iterations.
- iteration 33: trace = 2.150380790837795 (0.000319175% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 2.150373779095473 (0.00032607% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 2.150366763997729 (0.000326227% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 2.150359396527598 (0.000342615% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 2.150351903227359 (0.000348468% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 2.150343144221984 (0.00040733% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 2.150335244258529 (0.000367382% change)
- linmin: converged after 6 iterations.
- iteration 40: trace = 2.150328828056092 (0.000298382% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 2.150323123346729 (0.000265295% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 2.150319840811106 (0.000152653% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 2.150317369675977 (0.000114919% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 2.150315485730016 (8.76125e-05% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 2.150314485092851 (4.65344e-05% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 2.150313850319529 (2.952e-05% change)
- linmin: converged after 5 iterations.
- iteration 47: trace = 2.150313567745016 (1.31411e-05% change)
- linmin: converged after 5 iterations.
- iteration 48: trace = 2.150313402387604 (7.68992e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 2.150313290592575 (5.19901e-06% change)
- linmin: converged after 6 iterations.
- iteration 50: trace = 2.150313233309788 (2.66393e-06% change)
- linmin: converged after 5 iterations.
- iteration 51: trace = 2.150313205104017 (1.31171e-06% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 2.150313191063011 (6.52975e-07% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 2.15031318315574 (3.67726e-07% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 2.150313178005872 (2.39494e-07% change)
- linmin: converged after 2 iterations.
- iteration 55: trace = 2.15031317468392 (1.54487e-07% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 2.15031317298649 (7.89387e-08% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 2.150313171839945 (5.33199e-08% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 2.150313171038808 (3.72568e-08% change)
- linmin: converged after 2 iterations.
- iteration 59: trace = 2.150313170618584 (1.95424e-08% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 2.150313170310127 (1.43447e-08% change)
- linmin: converged after 2 iterations.
- iteration 61: trace = 2.15031317007892 (1.07523e-08% change)
- linmin: converged after 2 iterations.
- iteration 62: trace = 2.150313169876843 (9.39756e-09% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 2.150313169681186 (9.09903e-09% change)
- linmin: converged after 8 iterations.
- iteration 64: trace = 2.15031316952697 (7.17178e-09% change)
- linmin: converged after 2 iterations.
- iteration 65: trace = 2.150313169349206 (8.26689e-09% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 2.150313169164314 (8.59838e-09% change)
- linmin: converged after 2 iterations.
- iteration 67: trace = 2.150313168971394 (8.97169e-09% change)
- linmin: converged after 5 iterations.
- iteration 68: trace = 2.150313168726532 (1.13873e-08% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 2.150313168487834 (1.11006e-08% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 70: trace = 2.150313168383634 (4.84582e-09% change)
- linmin: converged after 2 iterations.
- iteration 71: trace = 2.150313168199778 (8.5502e-09% change)
- linmin: converged after 5 iterations.
- iteration 72: trace = 2.150313168067435 (6.15461e-09% change)
- linmin: converged after 2 iterations.
- iteration 73: trace = 2.150313167954971 (5.23009e-09% change)
- linmin: converged after 2 iterations.
- iteration 74: trace = 2.150313167848819 (4.9366e-09% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 2.150313167774826 (3.44105e-09% change)
- linmin: converged after 2 iterations.
- iteration 76: trace = 2.150313167690865 (3.90457e-09% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 2.150313167606671 (3.91543e-09% change)
- linmin: converged after 2 iterations.
- iteration 78: trace = 2.150313167537179 (3.23173e-09% change)
- linmin: converged after 2 iterations.
- iteration 79: trace = 2.150313167461771 (3.50684e-09% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 2.150313167391707 (3.25831e-09% change)
- linmin: converged after 2 iterations.
- iteration 81: trace = 2.150313167302679 (4.14023e-09% change)
- linmin: converged after 2 iterations.
- iteration 82: trace = 2.150313167174394 (5.96587e-09% change)
- linmin: converged after 2 iterations.
- iteration 83: trace = 2.150313167057197 (5.45023e-09% change)
- linmin: converged after 2 iterations.
- iteration 84: trace = 2.150313166919648 (6.39672e-09% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 2.150313166760828 (7.38586e-09% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 2.150313166660208 (4.67932e-09% change)
- linmin: converged after 4 iterations.
- iteration 87: trace = 2.150313166582061 (3.63425e-09% change)
- linmin: converged after 6 iterations.
- iteration 88: trace = 2.15031316651592 (3.07587e-09% change)
- linmin: converged after 5 iterations.
- iteration 89: trace = 2.150313166475563 (1.87678e-09% change)
- linmin: converged after 4 iterations.
- iteration 90: trace = 2.150313166453092 (1.04503e-09% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 2.150313166442374 (4.98443e-10% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 2.150313166436357 (2.79818e-10% change)
- linmin: converged after 3 iterations.
- iteration 93: trace = 2.150313166432015 (2.01938e-10% change)
- linmin: converged after 3 iterations.
- iteration 94: trace = 2.150313166429914 (9.76854e-11% change)
-Finished solving for bands 31 to 40 after 94 iterations.
-Solving for bands 41 to 50...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 8.54561533283516 (191.103% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 3.261177039207398 (89.5152% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 2.73543054489073 (17.5348% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 2.599623148721098 (5.09114% change)
- linmin: converged after 10 iterations.
- iteration 5: trace = 2.527777747030367 (2.80241% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 2.48697195409586 (1.62743% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 2.468814609174601 (0.732773% change)
- linmin: converged after 7 iterations.
- iteration 8: trace = 2.458529975618113 (0.417451% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 2.452010579592671 (0.265527% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 2.44695192498564 (0.206519% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 2.443000266960076 (0.161624% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.440801969572049 (0.090024% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.439651933403517 (0.0471282% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 2.438794406518084 (0.0351557% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 2.438022839070599 (0.0316423% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 2.43731423966883 (0.0290687% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 2.436427459297366 (0.0363901% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 2.435606085478923 (0.0337179% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 2.435080538992132 (0.02158% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 2.434730917248482 (0.0143587% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 2.434515499878323 (0.00884808% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.434390164757964 (0.00514839% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 2.434289948271563 (0.00411678% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 2.43421517112559 (0.00307187% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 2.434151151333727 (0.00263003% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 2.434099390081217 (0.00212648% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 2.434069521772944 (0.00122709% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 2.434051894882334 (0.000724176% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 2.434040921125313 (0.000450844% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 2.434034872446438 (0.000248504% change)
- linmin: converged after 6 iterations.
- iteration 31: trace = 2.4340311347368 (0.00015356% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 2.434028967791745 (8.9027e-05% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 2.434027725438828 (5.1041e-05% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 2.434026886621372 (3.44621e-05% change)
- linmin: converged after 5 iterations.
- iteration 35: trace = 2.434026138719075 (3.0727e-05% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 2.434025450962204 (2.82559e-05% change)
- linmin: converged after 5 iterations.
- iteration 37: trace = 2.434024951067755 (2.05378e-05% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 2.434024674081352 (1.13798e-05% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 2.434024546245138 (5.25205e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 2.43402447271568 (3.0209e-06% change)
- linmin: converged after 2 iterations.
- iteration 41: trace = 2.43402442264887 (2.05696e-06% change)
- linmin: converged after 16 iterations.
- iteration 42: trace = 2.434024388303356 (1.41106e-06% change)
- linmin: converged after 2 iterations.
- iteration 43: trace = 2.434024363248842 (1.02935e-06% change)
- linmin: converged after 2 iterations.
- iteration 44: trace = 2.434024345054834 (7.47487e-07% change)
- linmin: converged after 2 iterations.
- iteration 45: trace = 2.434024334364265 (4.39214e-07% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 2.434024326949267 (3.04639e-07% change)
- linmin: converged after 2 iterations.
- iteration 47: trace = 2.434024320899892 (2.48534e-07% change)
- linmin: converged after 2 iterations.
- iteration 48: trace = 2.434024317216973 (1.5131e-07% change)
- linmin: converged after 2 iterations.
- iteration 49: trace = 2.434024315167457 (8.42028e-08% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 2.434024314139083 (4.225e-08% change)
- linmin: converged after 2 iterations.
- iteration 51: trace = 2.434024313590412 (2.25417e-08% change)
- linmin: converged after 2 iterations.
- iteration 52: trace = 2.434024313235237 (1.45921e-08% change)
- linmin: converged after 2 iterations.
- iteration 53: trace = 2.434024312972156 (1.08085e-08% change)
- linmin: converged after 2 iterations.
- iteration 54: trace = 2.434024312720115 (1.03549e-08% change)
- linmin: converged after 2 iterations.
- iteration 55: trace = 2.434024312512642 (8.52389e-09% change)
- linmin: converged after 2 iterations.
- iteration 56: trace = 2.434024312381686 (5.38021e-09% change)
- linmin: converged after 5 iterations.
- iteration 57: trace = 2.434024312305557 (3.1277e-09% change)
- linmin: converged after 5 iterations.
- iteration 58: trace = 2.43402431226277 (1.75786e-09% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 2.434024312237418 (1.04159e-09% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 2.434024312222994 (5.926e-10% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 2.434024312214691 (3.4111e-10% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 2.434024312208376 (2.59427e-10% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 2.434024312203916 (1.83253e-10% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 2.434024312200633 (1.34886e-10% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 2.434024312198264 (9.73374e-11% change)
-Finished solving for bands 41 to 50 after 65 iterations.
-Finished k-point with 80 mean iterations/band.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273
-elapsed time for k point: 32.75074601173401
-total elapsed time for run: 32.78105568885803
-done
-Fixing e-field (band 25) phase by -0.24413 + -0.969743i; max ampl. = 0.816569
-Outputting fields to /tmp/meepg15Lzl/test_point_defect_state-0-e.k01.b25.z.tm.h5...
-Fixing d-field (band 25) phase by -1 + 2.70339e-07i; max ampl. = 3.30563
-D-energy-components:, 1, 25, 0, 0, 1
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.0065724849700927734
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.01396094212364524 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01328122170995298 (4.99021% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 0.01312125250459154 (1.21177% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 4: trace = 0.01191112086656919 (9.66853% change)
- linmin: converged after 9 iterations.
- iteration 5: trace = 0.0110030162695962 (7.92615% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 0.01029304179290455 (6.66766% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 0.0101531458712683 (1.36843% change)
- large trace change predicted (3.83569%)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.009161074295762101 (10.273% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008800132157818467 (4.01913% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.008721130039205466 (0.901786% change)
- large trace change predicted (5.14951%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007755074091853987 (11.7267% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.007567651738028323 (2.44633% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.00744432729098274 (1.64301% change)
- large trace change predicted (3.47332%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 0.006982846082473489 (6.39739% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.006885117068908677 (1.40942% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.006706744046671679 (2.6247% change)
- large trace change predicted (6.61768%)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.005943992996928429 (12.0586% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 0.005764800011462347 (3.06083% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.005733187549096868 (0.549878% change)
- large trace change predicted (3.92338%)
- linmin: converged after 5 iterations.
- iteration 20: trace = 0.005437578168133488 (5.29255% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.005065994952417877 (7.07537% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 0.004980329233775762 (1.70541% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.004799389227541902 (3.70031% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.004290565557764014 (11.1953% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 0.004129783466733805 (3.81889% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.004098164734631855 (0.768569% change)
- large trace change predicted (2.30942%)
- linmin: converged after 4 iterations.
- iteration 27: trace = 0.003988836574243196 (2.7038% change)
- large trace change predicted (5.91726%)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.003638194884514588 (9.19471% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 0.003465126406214108 (4.87289% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 0.003391039545076355 (2.16117% change)
- large trace change predicted (5.05382%)
- linmin: converged after 5 iterations.
- iteration 31: trace = 0.003180940877716805 (6.39377% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.002877900209262322 (10.0033% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 0.002790051991039538 (3.09982% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.002766730330194419 (0.839394% change)
- large trace change predicted (1.83716%)
- linmin: converged after 3 iterations.
- iteration 35: trace = 0.002712677849314165 (1.97293% change)
- large trace change predicted (6.51997%)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.002489458767243676 (8.58182% change)
- linmin: converged after 5 iterations.
- iteration 37: trace = 0.002278426018734292 (8.85226% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 0.002210940775452601 (3.00645% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.002159482749761328 (2.35483% change)
- large trace change predicted (5.04213%)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.00203481187534167 (5.94478% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 0.001904048309856952 (6.63967% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 0.00185832050557658 (2.4308% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.001833707942128221 (1.33328% change)
- large trace change predicted (2.94396%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.001775450547252923 (3.22831% change)
- linmin: converged after 5 iterations.
- iteration 45: trace = 0.001644503970627782 (7.6578% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 0.001555689303286632 (5.55058% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 0.001524235618688454 (2.0425% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.001497778457823109 (1.75096% change)
- large trace change predicted (4.11787%)
- linmin: converged after 4 iterations.
- iteration 49: trace = 0.001431456499506636 (4.52828% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 0.001319832847711346 (8.11428% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.001256207645533782 (4.93977% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 0.001230391786619745 (2.0764% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.001203986363794925 (2.16938% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 0.00115248694587591 (4.37089% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 0.001100112377774731 (4.65015% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 0.001077292856449817 (2.09603% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.001065332550532409 (1.11642% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.001045132371032226 (1.91429% change)
- large trace change predicted (5.01463%)
- linmin: converged after 3 iterations.
- iteration 59: trace = 0.0009893701148277678 (5.48166% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0009134884174844436 (7.97555% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 0.000874757439243248 (4.33173% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.0008583544664514737 (1.89289% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0008424113279837489 (1.87482% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 0.0008152380190685438 (3.27854% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 0.0007878477213842137 (3.4172% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0007745627298126695 (1.70058% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.000767219441475719 (0.952571% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.0007562123535870173 (1.44504% change)
- large trace change predicted (3.45965%)
- linmin: converged after 3 iterations.
- iteration 69: trace = 0.0007292232467670601 (3.63383% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0007201718792198771 (1.24899% change)
- large trace change predicted (5.3862%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006820040602905039 (5.44408% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006742704219718236 (1.14042% change)
- large trace change predicted (28.309%)
- linmin: converged after 4 iterations.
- iteration 73: trace = 0.0005003027046157548 (29.6223% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0004903658432335563 (2.00609% change)
- large trace change predicted (6.19981%)
- linmin: converged after 4 iterations.
- iteration 75: trace = 0.0004599272313909961 (6.40615% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 0.0004555356679372165 (0.959419% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 0.0004549395880423197 (0.130938% change)
- large trace change predicted (0.67778%)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0004518602131959129 (0.679174% change)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0004469389668073831 (1.09507% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0004430305337104067 (0.87833% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0004426074244622806 (0.095549% change)
- large trace change predicted (1.38401%)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0004365008038963863 (1.38928% change)
- linmin: converged after 2 iterations.
- iteration 83: trace = 0.000435791942494028 (0.162528% change)
- large trace change predicted (0.763752%)
- linmin: converged after 4 iterations.
- iteration 84: trace = 0.000432462329684045 (0.766967% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 0.0004322890730210272 (0.0400709% change)
- large trace change predicted (1.24372%)
- linmin: converged after 4 iterations.
- iteration 86: trace = 0.0004268775599662793 (1.25971% change)
- linmin: converged after 2 iterations.
- iteration 87: trace = 0.0004264886192328498 (0.0911545% change)
- large trace change predicted (0.708716%)
- linmin: converged after 4 iterations.
- iteration 88: trace = 0.000423453578635157 (0.714176% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.0004232426025476582 (0.0498351% change)
- large trace change predicted (0.349643%)
- linmin: converged after 4 iterations.
- iteration 90: trace = 0.000421757921823284 (0.351404% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.0004207658762294467 (0.235494% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 0.0004196438052718286 (0.26703% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 0.0004186306122548561 (0.241733% change)
- linmin: converged after 2 iterations.
- iteration 94: trace = 0.0004184953845214169 (0.0323076% change)
- large trace change predicted (0.125504%)
- linmin: converged after 4 iterations.
- iteration 95: trace = 0.0004179692102365137 (0.125809% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 0.0004174146479140429 (0.132768% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 0.0004169210654538547 (0.118317% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 0.0004168953517182827 (0.00616772% change)
- large trace change predicted (0.194111%)
- linmin: converged after 4 iterations.
- iteration 99: trace = 0.0004160835437604056 (0.194917% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0004159547361075745 (0.030962% change)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0004157198047469032 (0.056496% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0004156861672964403 (0.0080917% change)
- large trace change predicted (0.161367%)
- linmin: converged after 3 iterations.
- iteration 103: trace = 0.000415015769837011 (0.161405% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 0.0004149907927671911 (0.00601852% change)
- large trace change predicted (0.0549512%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 0.0004147628361953296 (0.0549456% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 0.0004147394187770554 (0.00564614% change)
- large trace change predicted (0.0338927%)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.0004145988939304534 (0.0338884% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 0.0004145923269721607 (0.00158394% change)
- large trace change predicted (0.0368809%)
- linmin: converged after 3 iterations.
- iteration 109: trace = 0.0004144394958770213 (0.0368698% change)
- linmin: converged after 3 iterations.
- iteration 110: trace = 0.0004143662526280264 (0.0176744% change)
- linmin: converged after 3 iterations.
- iteration 111: trace = 0.000414300372581812 (0.0159003% change)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.0004142972990238712 (0.00074187% change)
- large trace change predicted (0.0409684%)
- linmin: converged after 3 iterations.
- iteration 113: trace = 0.0004141279401081156 (0.040887% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0004141257883983192 (0.000519577% change)
- large trace change predicted (0.00468264%)
- linmin: converged after 3 iterations.
- iteration 115: trace = 0.0004141063987592697 (0.00468217% change)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.000414104237397629 (0.000521935% change)
- large trace change predicted (0.0181301%)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0004140291493238772 (0.0181343% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.0004140277758299471 (0.000331739% change)
- large trace change predicted (0.00913413%)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0004139899443903279 (0.00913783% change)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.0004139873450954302 (0.000627866% change)
- large trace change predicted (0.00364927%)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0004139722345024138 (0.00365008% change)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0004139689703828329 (0.000788491% change)
- large trace change predicted (0.00587122%)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0004139446555727229 (0.00587376% change)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0004139442371795921 (0.000101075% change)
- large trace change predicted (0.000893308%)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0004139405390507014 (0.000893392% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0004139381541907386 (0.000576138% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0004139350539578887 (0.000748963% change)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change)
- large trace change predicted (0.000511257%)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.000413932810794674 (0.000511317% change)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0004139318232519382 (0.000238576% change)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0004139304983427008 (0.00032008% change)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change)
- large trace change predicted (0.000339426%)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.0004139290212288972 (0.000339456% change)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change)
- large trace change predicted (0.000224737%)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.0004139279391436693 (0.000224744% change)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.0004139270056153959 (0.000225529% change)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.0004139264559419639 (0.000132795% change)
- linmin: converged after 2 iterations.
- iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change)
- large trace change predicted (7.61596e-05%)
- linmin: converged after 2 iterations.
- iteration 139: trace = 0.000413926105533619 (7.61595e-05% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change)
- linmin: converged after 2 iterations.
- iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change)
- large trace change predicted (7.23447e-05%)
- linmin: converged after 2 iterations.
- iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change)
- linmin: converged after 2 iterations.
- iteration 143: trace = 0.0004139249894459899 (0.000133906% change)
- linmin: converged after 2 iterations.
- iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change)
- large trace change predicted (7.06563e-05%)
- linmin: converged after 2 iterations.
- iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change)
- linmin: converged after 2 iterations.
- iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change)
- linmin: converged after 2 iterations.
- iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change)
- linmin: converged after 2 iterations.
- iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change)
- large trace change predicted (4.81328e-05%)
- linmin: converged after 2 iterations.
- iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change)
- linmin: converged after 2 iterations.
- iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change)
- linmin: converged after 2 iterations.
- iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change)
- linmin: converged after 2 iterations.
- iteration 152: trace = 0.000413923952211523 (2.88712e-06% change)
- large trace change predicted (2.76653e-05%)
- linmin: converged after 2 iterations.
- iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change)
- linmin: converged after 2 iterations.
- iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change)
- linmin: converged after 2 iterations.
- iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change)
- linmin: converged after 2 iterations.
- iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change)
- large trace change predicted (1.2381e-05%)
- linmin: converged after 2 iterations.
- iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change)
- linmin: converged after 2 iterations.
- iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change)
- linmin: converged after 2 iterations.
- iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change)
-Finished solving for bands 1 to 1 after 159 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773
-elapsed time for k point: 0.6761953830718994
-total elapsed time for run: 0.6828567981719971
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.006272554397583008
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.01396094212364524 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01328122170995298 (4.99021% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 0.01312125250459154 (1.21177% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 4: trace = 0.01191112086656919 (9.66853% change)
- linmin: converged after 9 iterations.
- iteration 5: trace = 0.0110030162695962 (7.92615% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 0.01029304179290455 (6.66766% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 0.0101531458712683 (1.36843% change)
- large trace change predicted (3.83569%)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.009161074295762101 (10.273% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008800132157818467 (4.01913% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 0.008721130039205466 (0.901786% change)
- large trace change predicted (5.14951%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007755074091853987 (11.7267% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.007567651738028323 (2.44633% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.00744432729098274 (1.64301% change)
- large trace change predicted (3.47332%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 0.006982846082473489 (6.39739% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.006885117068908677 (1.40942% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.006706744046671679 (2.6247% change)
- large trace change predicted (6.61768%)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.005943992996928429 (12.0586% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 0.005764800011462347 (3.06083% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.005733187549096868 (0.549878% change)
- large trace change predicted (3.92338%)
- linmin: converged after 5 iterations.
- iteration 20: trace = 0.005437578168133488 (5.29255% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.005065994952417877 (7.07537% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 0.004980329233775762 (1.70541% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.004799389227541902 (3.70031% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.004290565557764014 (11.1953% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 0.004129783466733805 (3.81889% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.004098164734631855 (0.768569% change)
- large trace change predicted (2.30942%)
- linmin: converged after 4 iterations.
- iteration 27: trace = 0.003988836574243196 (2.7038% change)
- large trace change predicted (5.91726%)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.003638194884514588 (9.19471% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 0.003465126406214108 (4.87289% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 0.003391039545076355 (2.16117% change)
- large trace change predicted (5.05382%)
- linmin: converged after 5 iterations.
- iteration 31: trace = 0.003180940877716805 (6.39377% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.002877900209262322 (10.0033% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 0.002790051991039538 (3.09982% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.002766730330194419 (0.839394% change)
- large trace change predicted (1.83716%)
- linmin: converged after 3 iterations.
- iteration 35: trace = 0.002712677849314165 (1.97293% change)
- large trace change predicted (6.51997%)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.002489458767243676 (8.58182% change)
- linmin: converged after 5 iterations.
- iteration 37: trace = 0.002278426018734292 (8.85226% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 0.002210940775452601 (3.00645% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.002159482749761328 (2.35483% change)
- large trace change predicted (5.04213%)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.00203481187534167 (5.94478% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 0.001904048309856952 (6.63967% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 0.00185832050557658 (2.4308% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.001833707942128221 (1.33328% change)
- large trace change predicted (2.94396%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.001775450547252923 (3.22831% change)
- linmin: converged after 5 iterations.
- iteration 45: trace = 0.001644503970627782 (7.6578% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 0.001555689303286632 (5.55058% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 0.001524235618688454 (2.0425% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.001497778457823109 (1.75096% change)
- large trace change predicted (4.11787%)
- linmin: converged after 4 iterations.
- iteration 49: trace = 0.001431456499506636 (4.52828% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 0.001319832847711346 (8.11428% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.001256207645533782 (4.93977% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 0.001230391786619745 (2.0764% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.001203986363794925 (2.16938% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 0.00115248694587591 (4.37089% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 0.001100112377774731 (4.65015% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 0.001077292856449817 (2.09603% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.001065332550532409 (1.11642% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.001045132371032226 (1.91429% change)
- large trace change predicted (5.01463%)
- linmin: converged after 3 iterations.
- iteration 59: trace = 0.0009893701148277678 (5.48166% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0009134884174844436 (7.97555% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 0.000874757439243248 (4.33173% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.0008583544664514737 (1.89289% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0008424113279837489 (1.87482% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 0.0008152380190685438 (3.27854% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 0.0007878477213842137 (3.4172% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0007745627298126695 (1.70058% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.000767219441475719 (0.952571% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.0007562123535870173 (1.44504% change)
- large trace change predicted (3.45965%)
- linmin: converged after 3 iterations.
- iteration 69: trace = 0.0007292232467670601 (3.63383% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0007201718792198771 (1.24899% change)
- large trace change predicted (5.3862%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006820040602905039 (5.44408% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006742704219718236 (1.14042% change)
- large trace change predicted (28.309%)
- linmin: converged after 4 iterations.
- iteration 73: trace = 0.0005003027046157548 (29.6223% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0004903658432335563 (2.00609% change)
- large trace change predicted (6.19981%)
- linmin: converged after 4 iterations.
- iteration 75: trace = 0.0004599272313909961 (6.40615% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 0.0004555356679372165 (0.959419% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 0.0004549395880423197 (0.130938% change)
- large trace change predicted (0.67778%)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0004518602131959129 (0.679174% change)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0004469389668073831 (1.09507% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0004430305337104067 (0.87833% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0004426074244622806 (0.095549% change)
- large trace change predicted (1.38401%)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0004365008038963863 (1.38928% change)
- linmin: converged after 2 iterations.
- iteration 83: trace = 0.000435791942494028 (0.162528% change)
- large trace change predicted (0.763752%)
- linmin: converged after 4 iterations.
- iteration 84: trace = 0.000432462329684045 (0.766967% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 0.0004322890730210272 (0.0400709% change)
- large trace change predicted (1.24372%)
- linmin: converged after 4 iterations.
- iteration 86: trace = 0.0004268775599662793 (1.25971% change)
- linmin: converged after 2 iterations.
- iteration 87: trace = 0.0004264886192328498 (0.0911545% change)
- large trace change predicted (0.708716%)
- linmin: converged after 4 iterations.
- iteration 88: trace = 0.000423453578635157 (0.714176% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.0004232426025476582 (0.0498351% change)
- large trace change predicted (0.349643%)
- linmin: converged after 4 iterations.
- iteration 90: trace = 0.000421757921823284 (0.351404% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.0004207658762294467 (0.235494% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 0.0004196438052718286 (0.26703% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 0.0004186306122548561 (0.241733% change)
- linmin: converged after 2 iterations.
- iteration 94: trace = 0.0004184953845214169 (0.0323076% change)
- large trace change predicted (0.125504%)
- linmin: converged after 4 iterations.
- iteration 95: trace = 0.0004179692102365137 (0.125809% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 0.0004174146479140429 (0.132768% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 0.0004169210654538547 (0.118317% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 0.0004168953517182827 (0.00616772% change)
- large trace change predicted (0.194111%)
- linmin: converged after 4 iterations.
- iteration 99: trace = 0.0004160835437604056 (0.194917% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0004159547361075745 (0.030962% change)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0004157198047469032 (0.056496% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0004156861672964403 (0.0080917% change)
- large trace change predicted (0.161367%)
- linmin: converged after 3 iterations.
- iteration 103: trace = 0.000415015769837011 (0.161405% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 0.0004149907927671911 (0.00601852% change)
- large trace change predicted (0.0549512%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 0.0004147628361953296 (0.0549456% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 0.0004147394187770554 (0.00564614% change)
- large trace change predicted (0.0338927%)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.0004145988939304534 (0.0338884% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 0.0004145923269721607 (0.00158394% change)
- large trace change predicted (0.0368809%)
- linmin: converged after 3 iterations.
- iteration 109: trace = 0.0004144394958770213 (0.0368698% change)
- linmin: converged after 3 iterations.
- iteration 110: trace = 0.0004143662526280264 (0.0176744% change)
- linmin: converged after 3 iterations.
- iteration 111: trace = 0.000414300372581812 (0.0159003% change)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.0004142972990238712 (0.00074187% change)
- large trace change predicted (0.0409684%)
- linmin: converged after 3 iterations.
- iteration 113: trace = 0.0004141279401081156 (0.040887% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0004141257883983192 (0.000519577% change)
- large trace change predicted (0.00468264%)
- linmin: converged after 3 iterations.
- iteration 115: trace = 0.0004141063987592697 (0.00468217% change)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.000414104237397629 (0.000521935% change)
- large trace change predicted (0.0181301%)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0004140291493238772 (0.0181343% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.0004140277758299471 (0.000331739% change)
- large trace change predicted (0.00913413%)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0004139899443903279 (0.00913783% change)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.0004139873450954302 (0.000627866% change)
- large trace change predicted (0.00364927%)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0004139722345024138 (0.00365008% change)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0004139689703828329 (0.000788491% change)
- large trace change predicted (0.00587122%)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0004139446555727229 (0.00587376% change)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0004139442371795921 (0.000101075% change)
- large trace change predicted (0.000893308%)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0004139405390507014 (0.000893392% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0004139381541907386 (0.000576138% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0004139350539578887 (0.000748963% change)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change)
- large trace change predicted (0.000511257%)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.000413932810794674 (0.000511317% change)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0004139318232519382 (0.000238576% change)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0004139304983427008 (0.00032008% change)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change)
- large trace change predicted (0.000339426%)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.0004139290212288972 (0.000339456% change)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change)
- large trace change predicted (0.000224737%)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.0004139279391436693 (0.000224744% change)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.0004139270056153959 (0.000225529% change)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.0004139264559419639 (0.000132795% change)
- linmin: converged after 2 iterations.
- iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change)
- large trace change predicted (7.61596e-05%)
- linmin: converged after 2 iterations.
- iteration 139: trace = 0.000413926105533619 (7.61595e-05% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change)
- linmin: converged after 2 iterations.
- iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change)
- large trace change predicted (7.23447e-05%)
- linmin: converged after 2 iterations.
- iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change)
- linmin: converged after 2 iterations.
- iteration 143: trace = 0.0004139249894459899 (0.000133906% change)
- linmin: converged after 2 iterations.
- iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change)
- large trace change predicted (7.06563e-05%)
- linmin: converged after 2 iterations.
- iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change)
- linmin: converged after 2 iterations.
- iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change)
- linmin: converged after 2 iterations.
- iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change)
- linmin: converged after 2 iterations.
- iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change)
- large trace change predicted (4.81328e-05%)
- linmin: converged after 2 iterations.
- iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change)
- linmin: converged after 2 iterations.
- iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change)
- linmin: converged after 2 iterations.
- iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change)
- linmin: converged after 2 iterations.
- iteration 152: trace = 0.000413923952211523 (2.88712e-06% change)
- large trace change predicted (2.76653e-05%)
- linmin: converged after 2 iterations.
- iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change)
- linmin: converged after 2 iterations.
- iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change)
- linmin: converged after 2 iterations.
- iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change)
- linmin: converged after 2 iterations.
- iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change)
- large trace change predicted (1.2381e-05%)
- linmin: converged after 2 iterations.
- iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change)
- linmin: converged after 2 iterations.
- iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change)
- linmin: converged after 2 iterations.
- iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change)
-Finished solving for bands 1 to 1 after 159 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773
-elapsed time for k point: 0.6784026622772217
-total elapsed time for run: 0.6847500801086426
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.006409168243408203
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.0139704128560643 (199.998% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 0.01325247935111975 (5.27448% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.01309864585223207 (1.16757% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 4: trace = 0.01180419769830925 (10.396% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.01092171084968943 (7.76635% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.0104832362042705 (4.09695% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.01024244099014652 (2.32364% change)
- linmin: converged after 9 iterations.
- iteration 8: trace = 0.009296726181321038 (9.6802% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 0.009092549250416949 (2.22061% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.008877950458103788 (2.38835% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 0.008191259878067776 (8.04596% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.008096286457343976 (1.16621% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.007980245656617101 (1.4436% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 0.007633080390827254 (4.44704% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.007551101189687394 (1.0798% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 0.007469146928803855 (1.09125% change)
- large trace change predicted (3.9796%)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.007061705120440128 (5.60795% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.006903078386241062 (2.27181% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 0.006883599985888954 (0.282568% change)
- large trace change predicted (0.911153%)
- linmin: converged after 4 iterations.
- iteration 20: trace = 0.00681525517829826 (0.997818% change)
- large trace change predicted (3.64606%)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.006414667864077147 (6.05578% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 0.006179070463155562 (3.7415% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 0.006123365667045719 (0.90559% change)
- large trace change predicted (1.96323%)
- linmin: converged after 4 iterations.
- iteration 24: trace = 0.005987920414037494 (2.23668% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 0.00577045887794577 (3.69884% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.005717242846854336 (0.926487% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 0.005689514766158294 (0.486169% change)
- large trace change predicted (2.33743%)
- linmin: converged after 5 iterations.
- iteration 28: trace = 0.005515593855524939 (3.10431% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 0.004998906369241024 (9.82809% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 0.0047750227468392 (4.58124% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 0.004746932747066135 (0.590005% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 0.004704286249534733 (0.902455% change)
- large trace change predicted (2.70435%)
- linmin: converged after 4 iterations.
- iteration 33: trace = 0.004559634268193689 (3.12291% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.004505785235730644 (1.18801% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.004486716278660491 (0.424108% change)
- large trace change predicted (1.65013%)
- linmin: converged after 4 iterations.
- iteration 36: trace = 0.004403659935361575 (1.86846% change)
- linmin: converged after 5 iterations.
- iteration 37: trace = 0.00427652681574679 (2.92927% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.004241792311810986 (0.815525% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.004212672878610267 (0.688853% change)
- large trace change predicted (2.6159%)
- linmin: converged after 5 iterations.
- iteration 40: trace = 0.004078307839058333 (3.24123% change)
- linmin: converged after 5 iterations.
- iteration 41: trace = 0.003921854172378827 (3.91126% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 0.003887258230778637 (0.88604% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 0.003877595631595188 (0.24888% change)
- large trace change predicted (0.564259%)
- linmin: converged after 3 iterations.
- iteration 44: trace = 0.003854774509315449 (0.590275% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.003806743759075903 (1.25382% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.003784645770881508 (0.582186% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.003772030283002335 (0.33389% change)
- large trace change predicted (1.10169%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.003727677192100772 (1.1828% change)
- large trace change predicted (2.54483%)
- linmin: converged after 5 iterations.
- iteration 49: trace = 0.003617159141799081 (3.00941% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 0.003566314305240271 (1.41561% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 0.003555267782136195 (0.310227% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 0.003544772930972855 (0.295628% change)
- large trace change predicted (0.882197%)
- linmin: converged after 4 iterations.
- iteration 53: trace = 0.003511336163544016 (0.94774% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 0.003474290018800834 (1.06064% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 0.003461055304604568 (0.38166% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 0.003450064076673498 (0.318074% change)
- large trace change predicted (0.959984%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.003414599750455045 (1.03324% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 0.003355264791946304 (1.75291% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 0.003328832118899126 (0.790912% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 0.003316361826965426 (0.375318% change)
- large trace change predicted (0.782533%)
- linmin: converged after 3 iterations.
- iteration 61: trace = 0.003288989405475136 (0.828795% change)
- large trace change predicted (1.92333%)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.003216637088435873 (2.2243% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0031633288891235 (1.67111% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 0.003147796524626722 (0.492222% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 0.003138735020054819 (0.288283% change)
- large trace change predicted (0.631443%)
- linmin: converged after 3 iterations.
- iteration 66: trace = 0.003117908288074134 (0.665748% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.003080073611720689 (1.22087% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 0.003057130980387658 (0.747657% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 0.003044853183462938 (0.40242% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.003040645554072147 (0.138284% change)
- large trace change predicted (0.662844%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.003020737913830766 (0.656868% change)
- large trace change predicted (3.15233%)
- linmin: converged after 4 iterations.
- iteration 72: trace = 0.00292930566739102 (3.07333% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.002880127581963598 (1.69304% change)
- large trace change predicted (4.94794%)
- linmin: converged after 4 iterations.
- iteration 74: trace = 0.002741582966748026 (4.92891% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 0.002701516927257924 (1.47218% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 0.002680059245967761 (0.79745% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 0.002654711663958115 (0.950278% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 0.00263395315502916 (0.785019% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 0.002632703149905708 (0.0474686% change)
- large trace change predicted (1.11881%)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.002603510908529128 (1.11501% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 0.002602852951166054 (0.0252751% change)
- large trace change predicted (1.98243%)
- linmin: converged after 4 iterations.
- iteration 82: trace = 0.002546719623661904 (2.18012% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 0.002545931326038623 (0.0309582% change)
- large trace change predicted (0.28249%)
- linmin: converged after 4 iterations.
- iteration 84: trace = 0.002538665650581014 (0.285792% change)
- linmin: converged after 4 iterations.
- iteration 85: trace = 0.002531307083978984 (0.29028% change)
- linmin: converged after 4 iterations.
- iteration 86: trace = 0.002525454518374927 (0.231475% change)
- linmin: converged after 4 iterations.
- iteration 87: trace = 0.002519246691417378 (0.246113% change)
- linmin: converged after 4 iterations.
- iteration 88: trace = 0.002518419308579481 (0.0328479% change)
- large trace change predicted (0.184395%)
- linmin: converged after 4 iterations.
- iteration 89: trace = 0.002513730250763979 (0.186364% change)
- linmin: converged after 4 iterations.
- iteration 90: trace = 0.002512968998810526 (0.0302883% change)
- large trace change predicted (0.217796%)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.002507432797603135 (0.220548% change)
- linmin: converged after 2 iterations.
- iteration 92: trace = 0.002507213225727589 (0.00875722% change)
- large trace change predicted (0.5147%)
- linmin: converged after 4 iterations.
- iteration 93: trace = 0.002493995010863174 (0.528601% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 0.002493329897761381 (0.0266721% change)
- large trace change predicted (1.39143%)
- linmin: converged after 4 iterations.
- iteration 95: trace = 0.002455039003712123 (1.54762% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 0.002452511872111521 (0.10299% change)
- large trace change predicted (0.991276%)
- linmin: converged after 4 iterations.
- iteration 97: trace = 0.002425130456922245 (1.12273% change)
- linmin: converged after 3 iterations.
- iteration 98: trace = 0.002414082465642957 (0.456603% change)
- large trace change predicted (2.45505%)
- linmin: converged after 6 iterations.
- iteration 99: trace = 0.00232926143884425 (3.57642% change)
- linmin: converged after 3 iterations.
- iteration 100: trace = 0.002325777946603649 (0.149665% change)
- large trace change predicted (2.34227%)
- linmin: converged after 6 iterations.
- iteration 101: trace = 0.002229897091235998 (4.20929% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 0.002223845139965056 (0.271769% change)
- large trace change predicted (1.18253%)
- linmin: converged after 6 iterations.
- iteration 103: trace = 0.002188150132802064 (1.61809% change)
- linmin: converged after 3 iterations.
- iteration 104: trace = 0.002182874759977945 (0.241379% change)
- large trace change predicted (0.876822%)
- linmin: converged after 5 iterations.
- iteration 105: trace = 0.002159129103806193 (1.09376% change)
- linmin: converged after 6 iterations.
- iteration 106: trace = 0.002089786152922282 (3.26403% change)
- linmin: converged after 4 iterations.
- iteration 107: trace = 0.002082927080804095 (0.328758% change)
- large trace change predicted (0.745454%)
- linmin: converged after 5 iterations.
- iteration 108: trace = 0.002064496299123318 (0.888782% change)
- linmin: converged after 5 iterations.
- iteration 109: trace = 0.002041753068920313 (1.10774% change)
- linmin: converged after 3 iterations.
- iteration 110: trace = 0.002039571461126356 (0.106907% change)
- large trace change predicted (0.360866%)
- linmin: converged after 4 iterations.
- iteration 111: trace = 0.00203162291519282 (0.390477% change)
- large trace change predicted (1.05067%)
- linmin: converged after 5 iterations.
- iteration 112: trace = 0.002004428314296047 (1.34758% change)
- linmin: converged after 3 iterations.
- iteration 113: trace = 0.001999407692206722 (0.250791% change)
- linmin: converged after 3 iterations.
- iteration 114: trace = 0.001995360220819478 (0.202639% change)
- large trace change predicted (0.94685%)
- linmin: converged after 5 iterations.
- iteration 115: trace = 0.001971823715558564 (1.18656% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 0.001962095654760598 (0.494573% change)
- linmin: converged after 3 iterations.
- iteration 117: trace = 0.001959076236913126 (0.154006% change)
- large trace change predicted (0.748967%)
- linmin: converged after 5 iterations.
- iteration 118: trace = 0.001941712280395883 (0.890279% change)
- linmin: converged after 5 iterations.
- iteration 119: trace = 0.001923375463955263 (0.948843% change)
- linmin: converged after 3 iterations.
- iteration 120: trace = 0.001920556295701355 (0.146681% change)
- linmin: converged after 3 iterations.
- iteration 121: trace = 0.001918029912146249 (0.131631% change)
- large trace change predicted (0.549968%)
- linmin: converged after 4 iterations.
- iteration 122: trace = 0.001906201779161867 (0.618589% change)
- linmin: converged after 4 iterations.
- iteration 123: trace = 0.001898499562050229 (0.404879% change)
- linmin: converged after 3 iterations.
- iteration 124: trace = 0.001896557449814275 (0.10235% change)
- large trace change predicted (0.277058%)
- linmin: converged after 3 iterations.
- iteration 125: trace = 0.001891002137458801 (0.293345% change)
- large trace change predicted (0.718159%)
- linmin: converged after 5 iterations.
- iteration 126: trace = 0.001875212231809554 (0.838503% change)
- linmin: converged after 3 iterations.
- iteration 127: trace = 0.001869456093758295 (0.307431% change)
- linmin: converged after 3 iterations.
- iteration 128: trace = 0.001867923188187034 (0.082031% change)
- large trace change predicted (0.22535%)
- linmin: converged after 3 iterations.
- iteration 129: trace = 0.001863513871651646 (0.236333% change)
- large trace change predicted (0.500516%)
- linmin: converged after 4 iterations.
- iteration 130: trace = 0.001853142211517864 (0.558118% change)
- linmin: converged after 3 iterations.
- iteration 131: trace = 0.001849375854526385 (0.203448% change)
- linmin: converged after 3 iterations.
- iteration 132: trace = 0.001848037517131958 (0.0723932% change)
- large trace change predicted (0.20788%)
- linmin: converged after 3 iterations.
- iteration 133: trace = 0.001844026901769776 (0.217256% change)
- linmin: converged after 4 iterations.
- iteration 134: trace = 0.001836311623647581 (0.41927% change)
- linmin: converged after 3 iterations.
- iteration 135: trace = 0.001833761470105556 (0.13897% change)
- linmin: converged after 3 iterations.
- iteration 136: trace = 0.001832871786061251 (0.0485287% change)
- large trace change predicted (0.135932%)
- linmin: converged after 3 iterations.
- iteration 137: trace = 0.001830312047116603 (0.139755% change)
- large trace change predicted (0.311765%)
- linmin: converged after 4 iterations.
- iteration 138: trace = 0.001824235934785314 (0.332523% change)
- linmin: converged after 3 iterations.
- iteration 139: trace = 0.001821681787552322 (0.14011% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 140: trace = 0.001821340978755483 (0.0187102% change)
- large trace change predicted (0.0804528%)
- linmin: converged after 3 iterations.
- iteration 141: trace = 0.001819877066132478 (0.0804079% change)
- large trace change predicted (0.409916%)
- linmin: converged after 3 iterations.
- iteration 142: trace = 0.001812499503892364 (0.406211% change)
- linmin: converged after 3 iterations.
- iteration 143: trace = 0.001811454519148888 (0.057671% change)
- large trace change predicted (0.477167%)
- linmin: converged after 4 iterations.
- iteration 144: trace = 0.001802735963199116 (0.482462% change)
- linmin: converged after 2 iterations.
- iteration 145: trace = 0.001802528129060389 (0.0115295% change)
- large trace change predicted (0.204614%)
- linmin: converged after 4 iterations.
- iteration 146: trace = 0.001798817730664685 (0.206056% change)
- linmin: converged after 2 iterations.
- iteration 147: trace = 0.001797914790903732 (0.0502089% change)
- linmin: converged after 2 iterations.
- iteration 148: trace = 0.001797855061937365 (0.00332218% change)
- large trace change predicted (0.0666456%)
- linmin: converged after 3 iterations.
- iteration 149: trace = 0.001796663044742081 (0.0663242% change)
- linmin: converged after 2 iterations.
- iteration 150: trace = 0.001796554124385083 (0.00606255% change)
- large trace change predicted (0.0339861%)
- linmin: converged after 3 iterations.
- iteration 151: trace = 0.001795941681918807 (0.0340957% change)
- linmin: converged after 3 iterations.
- iteration 152: trace = 0.001795556193835764 (0.0214667% change)
- linmin: converged after 2 iterations.
- iteration 153: trace = 0.001795537946428974 (0.00101626% change)
- large trace change predicted (0.0137742%)
- linmin: converged after 3 iterations.
- iteration 154: trace = 0.001795291078519722 (0.0137499% change)
- linmin: converged after 3 iterations.
- iteration 155: trace = 0.001795240452711556 (0.00281996% change)
- linmin: converged after 3 iterations.
- iteration 156: trace = 0.001795226987864461 (0.000750033% change)
- large trace change predicted (0.00308087%)
- linmin: converged after 3 iterations.
- iteration 157: trace = 0.001795171693735686 (0.00308011% change)
- linmin: converged after 2 iterations.
- iteration 158: trace = 0.001795171107873165 (3.26355e-05% change)
- large trace change predicted (0.000971063%)
- linmin: converged after 2 iterations.
- iteration 159: trace = 0.001795153665886346 (0.000971611% change)
- linmin: converged after 2 iterations.
- iteration 160: trace = 0.001795145309849778 (0.000465479% change)
- linmin: converged after 2 iterations.
- iteration 161: trace = 0.00179513965313019 (0.000315113% change)
- linmin: converged after 2 iterations.
- iteration 162: trace = 0.001795132316401178 (0.0004087% change)
- linmin: converged after 2 iterations.
- iteration 163: trace = 0.001795130761270238 (8.66305e-05% change)
- large trace change predicted (0.000263293%)
- linmin: converged after 2 iterations.
- iteration 164: trace = 0.001795126034816844 (0.000263293% change)
- linmin: converged after 2 iterations.
- iteration 165: trace = 0.001795120368150627 (0.00031567% change)
- linmin: converged after 2 iterations.
- iteration 166: trace = 0.001795120265519393 (5.71723e-06% change)
- large trace change predicted (0.000128194%)
- linmin: converged after 2 iterations.
- iteration 167: trace = 0.0017951179643805 (0.000128189% change)
- linmin: converged after 2 iterations.
- iteration 168: trace = 0.001795116608932586 (7.55075e-05% change)
- linmin: converged after 2 iterations.
- iteration 169: trace = 0.00179511627836147 (1.8415e-05% change)
- large trace change predicted (0.000128111%)
- linmin: converged after 2 iterations.
- iteration 170: trace = 0.001795113978637384 (0.00012811% change)
- linmin: converged after 2 iterations.
- iteration 171: trace = 0.001795113633503659 (1.92263e-05% change)
- large trace change predicted (0.000217276%)
- linmin: converged after 2 iterations.
- iteration 172: trace = 0.001795109733048387 (0.000217282% change)
- linmin: converged after 2 iterations.
- iteration 173: trace = 0.001795108024776292 (9.51626e-05% change)
- linmin: converged after 2 iterations.
- iteration 174: trace = 0.00179510771385997 (1.73202e-05% change)
- linmin: converged after 2 iterations.
- iteration 175: trace = 0.001795107475576205 (1.32741e-05% change)
- linmin: converged after 2 iterations.
- iteration 176: trace = 0.001795107189144143 (1.59563e-05% change)
- large trace change predicted (4.80671e-05%)
- linmin: converged after 2 iterations.
- iteration 177: trace = 0.00179510632617456 (4.80734e-05% change)
- linmin: converged after 3 iterations.
- iteration 178: trace = 0.001795105301167742 (5.71001e-05% change)
- linmin: converged after 2 iterations.
- iteration 179: trace = 0.00179510525712836 (2.4533e-06% change)
- large trace change predicted (6.13335e-05%)
- linmin: converged after 2 iterations.
- iteration 180: trace = 0.001795104156147833 (6.13324e-05% change)
- linmin: converged after 2 iterations.
- iteration 181: trace = 0.001795103906910061 (1.38843e-05% change)
- linmin: converged after 2 iterations.
- iteration 182: trace = 0.001795103753578124 (8.54168e-06% change)
- large trace change predicted (2.98372e-05%)
- linmin: converged after 2 iterations.
- iteration 183: trace = 0.001795103217903729 (2.98409e-05% change)
- linmin: converged after 2 iterations.
- iteration 184: trace = 0.001795103166259423 (2.87695e-06% change)
- large trace change predicted (3.00403e-05%)
- linmin: converged after 3 iterations.
- iteration 185: trace = 0.001795102627068015 (3.00368e-05% change)
- linmin: converged after 2 iterations.
- iteration 186: trace = 0.001795102523467903 (5.77126e-06% change)
- linmin: converged after 1 iterations.
- iteration 187: trace = 0.001795102514608244 (4.93546e-07% change)
-Finished solving for bands 1 to 1 after 187 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209
-elapsed time for k point: 0.7981231212615967
-total elapsed time for run: 0.804602861404419
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.006366252899169922
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.013963968885107 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327343044449466 (5.07052% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.01314818569010378 (0.948048% change)
- near maximum in trace
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.01141846578827399 (14.0819% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.01061430622937801 (7.29967% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.0102347107119679 (3.64138% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.009988837075719608 (2.43156% change)
- linmin: converged after 7 iterations.
- iteration 8: trace = 0.009059508094124929 (9.75758% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008774558877248347 (3.19556% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.008664466957180424 (1.26259% change)
- large trace change predicted (5.16734%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007650222378831909 (12.4335% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.007407584235922479 (3.22276% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.007287287721444142 (1.63726% change)
- large trace change predicted (4.46443%)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.006585376156714772 (10.1193% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.006385665995861183 (3.07932% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.006173327684014537 (3.38145% change)
- large trace change predicted (7.03964%)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.005372344447181201 (13.875% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 0.005203493896296876 (3.19314% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.005158140160565367 (0.875417% change)
- large trace change predicted (7.03307%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.004551124706256455 (12.5038% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.004053087734012703 (11.5766% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 0.003982686104546883 (1.75221% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.003851118513789621 (3.35897% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.003554514950175319 (8.01021% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.003482282941089456 (2.05298% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.003443376782551548 (1.12354% change)
- large trace change predicted (5.80293%)
- linmin: converged after 6 iterations.
- iteration 27: trace = 0.003167191653530731 (8.35587% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.002727294773792319 (14.9257% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.00261408919836408 (4.23881% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.002578888610947004 (1.3557% change)
- large trace change predicted (3.42483%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.002480493356273773 (3.88962% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 0.002367651133012123 (4.65507% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.00233796629705678 (1.26168% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.002309522256886928 (1.22406% change)
- large trace change predicted (5.26705%)
- linmin: converged after 5 iterations.
- iteration 35: trace = 0.002163759017492219 (6.51706% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001939452304785408 (10.9332% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.00186957222999906 (3.66918% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.001846153068852122 (1.26054% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.001797037323885004 (2.6963% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.001701311179774289 (5.47265% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.001657879763084735 (2.58583% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 0.001643731377042975 (0.85706% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.001620701965208401 (1.41093% change)
- large trace change predicted (3.46706%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.00155921515695374 (3.8672% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.001512999776482627 (3.0086% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.001497753787335442 (1.01277% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 0.001482591473434224 (1.01749% change)
- large trace change predicted (3.11595%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.001433496093899474 (3.36721% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 0.001357637973043123 (5.43565% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 0.001326948326801945 (2.28636% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.001316932853658683 (0.757634% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.00130499859355095 (0.910341% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.001282234360753415 (1.75974% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 0.001266870293558345 (1.20545% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.001261655054987313 (0.412512% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.00125677986338564 (0.38716% change)
- large trace change predicted (1.2699%)
- linmin: converged after 3 iterations.
- iteration 57: trace = 0.001240453870881619 (1.30753% change)
- large trace change predicted (2.87445%)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.001202896860403951 (3.07422% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 0.001179735208772778 (1.94421% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.001172296235977517 (0.632557% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.001166242359716823 (0.517749% change)
- large trace change predicted (1.07992%)
- linmin: converged after 3 iterations.
- iteration 62: trace = 0.001153409487711424 (1.10645% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 0.001139191286254316 (1.24036% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.001133617688685817 (0.490459% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.001130985118687525 (0.232497% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.001126199418161235 (0.424042% change)
- large trace change predicted (1.0217%)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.001114492081979881 (1.04498% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.001104425130402338 (0.907375% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.001100671902350251 (0.340414% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.001099857642964197 (0.0740058% change)
- large trace change predicted (0.448655%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.001094930579150081 (0.448979% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.001092058041034646 (0.262693% change)
- large trace change predicted (1.1343%)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.001079697301944866 (1.13832% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.001075945706008446 (0.348072% change)
- large trace change predicted (5.69647%)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.001015472061314714 (5.78303% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.001011722488235073 (0.369927% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 0.001006696724642162 (0.49799% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.001006471831578985 (0.0223422% change)
- large trace change predicted (0.321601%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.001003240532948339 (0.321568% change)
- large trace change predicted (0.843447%)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0009948316941740013 (0.841695% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0009932059482039139 (0.163553% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0009920100956325559 (0.120476% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.0009909098472246269 (0.110973% change)
- large trace change predicted (0.343974%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0009875186028339726 (0.342822% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.0009868351271945317 (0.0692354% change)
- large trace change predicted (0.23392%)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.0009845322568589683 (0.233632% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 0.0009832644457029389 (0.128856% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 0.0009830636446443047 (0.020424% change)
- large trace change predicted (0.143137%)
- linmin: converged after 4 iterations.
- iteration 89: trace = 0.000981654287726127 (0.143467% change)
- linmin: converged after 4 iterations.
- iteration 90: trace = 0.0009807285600283054 (0.0943473% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.0009801262096658643 (0.0614375% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 0.0009797003662757565 (0.0434573% change)
- large trace change predicted (0.150715%)
- linmin: converged after 4 iterations.
- iteration 93: trace = 0.0009782177342185247 (0.15145% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 0.0009773746219149113 (0.0862258% change)
- linmin: converged after 4 iterations.
- iteration 95: trace = 0.0009769392448670227 (0.0445555% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 0.0009766854231881596 (0.0259847% change)
- large trace change predicted (0.0932274%)
- linmin: converged after 4 iterations.
- iteration 97: trace = 0.0009757710907702626 (0.0936597% change)
- linmin: converged after 4 iterations.
- iteration 98: trace = 0.000974760338555612 (0.103639% change)
- linmin: converged after 2 iterations.
- iteration 99: trace = 0.0009746951131747228 (0.00669165% change)
- large trace change predicted (0.066841%)
- linmin: converged after 4 iterations.
- iteration 100: trace = 0.0009740429646619571 (0.0669303% change)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.000973903057995954 (0.0143645% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0009736734114930696 (0.0235828% change)
- linmin: converged after 2 iterations.
- iteration 103: trace = 0.0009736547111648292 (0.00192061% change)
- large trace change predicted (0.0320894%)
- linmin: converged after 4 iterations.
- iteration 104: trace = 0.000973341966809752 (0.0321258% change)
- linmin: converged after 2 iterations.
- iteration 105: trace = 0.0009731524760046547 (0.01947% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 0.0009729383974931011 (0.0220009% change)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.0009728422982404363 (0.00987771% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 0.000972773850866935 (0.00703606% change)
- linmin: converged after 2 iterations.
- iteration 109: trace = 0.0009727199318841234 (0.00554296% change)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.0009727001609085182 (0.00203257% change)
- large trace change predicted (0.00486823%)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.0009726527881008878 (0.00487036% change)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.0009726459001020127 (0.000708169% change)
- large trace change predicted (0.0028796%)
- linmin: converged after 2 iterations.
- iteration 113: trace = 0.0009726178782572927 (0.00288103% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0009726136550693561 (0.000434209% change)
- large trace change predicted (0.0044832%)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0009725700210456027 (0.00448637% change)
- linmin: converged after 3 iterations.
- iteration 116: trace = 0.0009725477186011459 (0.00229317% change)
- linmin: converged after 3 iterations.
- iteration 117: trace = 0.0009725169993835423 (0.00315868% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.0009725054398541233 (0.00118863% change)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0009724922314134557 (0.0013582% change)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.000972485898755359 (0.00065118% change)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0009724828068150201 (0.000317942% change)
- large trace change predicted (0.000766325%)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0009724753544886667 (0.000766323% change)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0009724751391760871 (2.21407e-05% change)
- large trace change predicted (0.000487741%)
- linmin: converged after 3 iterations.
- iteration 124: trace = 0.0009724703967831301 (0.000487663% change)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0009724695722731794 (8.47851e-05% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0009724686023173732 (9.97416e-05% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0009724683963285693 (2.11821e-05% change)
- large trace change predicted (0.000182956%)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0009724666170982419 (0.00018296% change)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.0009724665630290224 (5.56001e-06% change)
- large trace change predicted (8.58149e-05%)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0009724657284832416 (8.58175e-05% change)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0009724651010359192 (6.45213e-05% change)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0009724646247807202 (4.8974e-05% change)
- large trace change predicted (0.000202977%)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.0009724626509295809 (0.000202974% change)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0009724620375443918 (6.30755e-05% change)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.0009724615331305616 (5.18698e-05% change)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.0009724608659776705 (6.86046e-05% change)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.0009724601155291436 (7.71701e-05% change)
- linmin: converged after 2 iterations.
- iteration 138: trace = 0.0009724600796040628 (3.69425e-06% change)
- large trace change predicted (1.51509e-05%)
- linmin: converged after 2 iterations.
- iteration 139: trace = 0.0009724599322679013 (1.51509e-05% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 140: trace = 0.0009724599005561722 (3.26098e-06% change)
- linmin: converged after 2 iterations.
- iteration 141: trace = 0.0009724598673352763 (3.41617e-06% change)
- large trace change predicted (1.39418e-05%)
- linmin: converged after 2 iterations.
- iteration 142: trace = 0.0009724597317585379 (1.39416e-05% change)
- linmin: converged after 2 iterations.
- iteration 143: trace = 0.0009724596502114002 (8.38566e-06% change)
- linmin: converged after 2 iterations.
- iteration 144: trace = 0.0009724596426331552 (7.79286e-07% change)
-Finished solving for bands 1 to 1 after 144 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374
-elapsed time for k point: 0.6154460906982422
-total elapsed time for run: 0.6218814849853516
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.006377458572387695
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.01396244070952001 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327734802514247 (5.03009% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 0.01312938938238583 (1.12061% change)
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 4: trace = 0.01143971570355311 (13.7545% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.01056618625955128 (7.93905% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.0100894235250991 (4.6163% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.009853432413965239 (2.36667% change)
- linmin: converged after 9 iterations.
- iteration 8: trace = 0.008796447371225856 (11.335% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008458573891943778 (3.91623% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.008228863764816385 (2.75309% change)
- large trace change predicted (6.26136%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.006959104851753761 (16.7206% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.00673167590201818 (3.32237% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.006525014649972332 (3.11784% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.005693152944009995 (13.6168% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.005504795126196015 (3.36415% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.005182224286174116 (6.03668% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.004410551313898079 (16.0886% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.004283910857905518 (2.91313% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 0.004224603983459523 (1.39406% change)
- large trace change predicted (9.32565%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.003556460288190122 (17.1736% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.003124334182187236 (12.9364% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.003069228500152332 (1.77945% change)
- large trace change predicted (3.71325%)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.002934336282953766 (4.49374% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.00264233173308252 (10.4724% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.002571579567269919 (2.71398% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.002533478244798919 (1.49269% change)
- large trace change predicted (7.65005%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.002278678035554091 (10.5899% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.001883039953473477 (19.0132% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.001791571188507326 (4.97842% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.001767270133709125 (1.36567% change)
- large trace change predicted (3.86857%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.00169217116207442 (4.34168% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.001555831949290188 (8.39526% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.001511411252316229 (2.89646% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.001486905418581334 (1.63464% change)
- large trace change predicted (5.92327%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.001387435430392555 (6.92124% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001194026459248926 (14.9845% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.001122562343194793 (6.16977% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.001099956477424317 (2.03426% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.001059182240514918 (3.7769% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.0009866837679004818 (7.08731% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.0009558629208419246 (3.17324% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.0009452267884309858 (1.11895% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.0009243211032326439 (2.23644% change)
- large trace change predicted (6.26126%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.0008615593031079486 (7.02867% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 0.0008134176826413665 (5.74833% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 0.0007986283255418251 (1.83486% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.0007852627945740037 (1.68768% change)
- large trace change predicted (4.77797%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.0007461125163437629 (5.11309% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 0.0006970945357500939 (6.79292% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 0.0006808926183566773 (2.35153% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.0006752932687867483 (0.82575% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.0006660950936484398 (1.37144% change)
- large trace change predicted (3.11166%)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.0006448656203036437 (3.23877% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 0.0006304610544465145 (2.25896% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.0006258397561783901 (0.735699% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.0006213724158645289 (0.716372% change)
- large trace change predicted (2.22111%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.0006073554439309521 (2.28154% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.0005849991898567178 (3.74993% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 0.0005750384421344878 (1.71731% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0005705355312952852 (0.786141% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.0005627759095241983 (1.36937% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.0005488357745412257 (2.50809% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0005415218646086128 (1.34156% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.0005394069954728243 (0.391306% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.0005374974140719988 (0.354643% change)
- large trace change predicted (1.05234%)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0005318034221307215 (1.06499% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.0005225513688562095 (1.75502% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.0005182232127308791 (0.831718% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.0005162072680211521 (0.389769% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0005155092907337273 (0.135304% change)
- large trace change predicted (0.688124%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0005119637368373891 (0.69015% change)
- linmin: converged after 2 iterations.
- iteration 72: trace = 0.0005116082162762452 (0.0694666% change)
- large trace change predicted (2.65047%)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.0004980720955581289 (2.68127% change)
- linmin: converged after 2 iterations.
- iteration 74: trace = 0.0004962593830387063 (0.364609% change)
- large trace change predicted (4.18178%)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.0004755685305165733 (4.25813% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.0004613074630966258 (3.04439% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 0.000461086796861826 (0.0478464% change)
- large trace change predicted (0.213803%)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0004601018611198662 (0.21384% change)
- large trace change predicted (1.00026%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0004555175354524014 (1.00136% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0004514547054394601 (0.895911% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0004512636246072304 (0.0423345% change)
- large trace change predicted (0.206391%)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0004503349945097374 (0.205996% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.0004501374789181844 (0.0438693% change)
- large trace change predicted (0.562754%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0004476360710495486 (0.557247% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.0004475864327812843 (0.0110896% change)
- large trace change predicted (0.12546%)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.0004470257239683097 (0.125352% change)
- linmin: converged after 2 iterations.
- iteration 87: trace = 0.0004469825667575035 (0.00965477% change)
- large trace change predicted (0.115451%)
- linmin: converged after 2 iterations.
- iteration 88: trace = 0.0004464661248478511 (0.115606% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.0004464504551906729 (0.00350977% change)
- large trace change predicted (0.177837%)
- linmin: converged after 4 iterations.
- iteration 90: trace = 0.0004456538746359608 (0.178585% change)
- linmin: converged after 2 iterations.
- iteration 91: trace = 0.0004456257171319219 (0.00631844% change)
- large trace change predicted (0.074741%)
- linmin: converged after 4 iterations.
- iteration 92: trace = 0.0004452924589958601 (0.0748123% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 0.0004452687856063663 (0.00531651% change)
- large trace change predicted (0.113007%)
- linmin: converged after 3 iterations.
- iteration 94: trace = 0.0004447657260542227 (0.113043% change)
- linmin: converged after 2 iterations.
- iteration 95: trace = 0.000444726767362233 (0.00875976% change)
- large trace change predicted (0.105917%)
- linmin: converged after 2 iterations.
- iteration 96: trace = 0.0004442556986460133 (0.105979% change)
- linmin: converged after 2 iterations.
- iteration 97: trace = 0.000444245580605219 (0.00227755% change)
- large trace change predicted (0.0817138%)
- linmin: converged after 3 iterations.
- iteration 98: trace = 0.0004438810888303023 (0.082081% change)
- linmin: converged after 2 iterations.
- iteration 99: trace = 0.0004438500905866564 (0.0069837% change)
- large trace change predicted (0.0240443%)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.000443743225500733 (0.0240797% change)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0004437391651983546 (0.000915016% change)
- large trace change predicted (0.0185711%)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0004436567046655417 (0.0185848% change)
- linmin: converged after 2 iterations.
- iteration 103: trace = 0.0004436180975631598 (0.0087024% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 0.0004435965954249043 (0.00484711% change)
- linmin: converged after 2 iterations.
- iteration 105: trace = 0.0004435901010886317 (0.00146403% change)
- large trace change predicted (0.0143213%)
- linmin: converged after 3 iterations.
- iteration 106: trace = 0.0004435266121585175 (0.0143135% change)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.0004434983515581526 (0.006372% change)
- linmin: converged after 3 iterations.
- iteration 108: trace = 0.0004434761005167122 (0.00501729% change)
- linmin: converged after 2 iterations.
- iteration 109: trace = 0.000443471473101567 (0.00104345% change)
- large trace change predicted (0.00742987%)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.0004434385151229819 (0.00743209% change)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.0004434252055766774 (0.00300149% change)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.0004434206868132132 (0.00101906% change)
- linmin: converged after 2 iterations.
- iteration 113: trace = 0.000443413692435694 (0.00157738% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0004434078981871981 (0.00130675% change)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0004434060803081369 (0.00040998% change)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.0004434035864054549 (0.000562444% change)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0004433997721779061 (0.000860219% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.0004433993922834409 (8.56777e-05% change)
- large trace change predicted (0.000765319%)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0004433959989793184 (0.000765296% change)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.000443393710753055 (0.00051607% change)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.00044339255522473 (0.00026061% change)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0004433924380077656 (2.64364e-05% change)
- large trace change predicted (0.000654702%)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0004433895351567819 (0.000654693% change)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0004433889271465858 (0.000137128% change)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0004433880632293057 (0.000194844% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0004433880312280366 (7.21744e-06% change)
- large trace change predicted (9.11993e-05%)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0004433876268650916 (9.11985e-05% change)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0004433874490725832 (4.00987e-05% change)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.0004433873033573146 (3.28641e-05% change)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0004433872992476595 (9.26877e-07% change)
-Finished solving for bands 1 to 1 after 130 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732
-elapsed time for k point: 0.5559144020080566
-total elapsed time for run: 0.5623648166656494
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.0063495635986328125
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.01396317243285668 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327582341516151 (5.0468% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.0131392180270813 (1.0343% change)
- near maximum in trace
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.01142281205604164 (13.9761% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.01058525607515258 (7.61135% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.01015898370438056 (4.10979% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.009918237309124136 (2.3982% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.008927971076747502 (10.5089% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008614717279949852 (3.57133% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.008466233313039572 (1.73859% change)
- large trace change predicted (5.78164%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007282511328252523 (15.0326% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.007044999188587252 (3.31547% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.006874592946480029 (2.44844% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.006133148163783014 (11.4001% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.00596154977038677 (2.83758% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.005645565245977392 (5.44467% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 0.004830936611362561 (15.5515% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.004686994043991938 (3.02466% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.004633898349406407 (1.13928% change)
- large trace change predicted (8.32154%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.003985702635394283 (15.04% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.003535474708266895 (11.9723% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.003476369469566703 (1.68587% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.003338185922812975 (4.05554% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.00304023988603604 (9.34231% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.002968314177461078 (2.39411% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.002929179324367631 (1.32717% change)
- large trace change predicted (6.73473%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.00266516322242606 (9.43868% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.00226371610808418 (16.2896% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.002168934509313738 (4.27652% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.00214077639914179 (1.30673% change)
- large trace change predicted (3.62381%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.002054832936511166 (4.09683% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 0.001928675147154582 (6.334% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.001891060682966421 (1.96948% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.001863419993347732 (1.47241% change)
- large trace change predicted (5.5606%)
- linmin: converged after 5 iterations.
- iteration 35: trace = 0.001742904243219416 (6.68358% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001553603642031292 (11.4849% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.00149051835858315 (4.14473% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.001465056863554563 (1.72295% change)
- large trace change predicted (3.54511%)
- linmin: converged after 4 iterations.
- iteration 39: trace = 0.001409511516369738 (3.8646% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.001324643607082073 (6.20798% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.001293109867389404 (2.40922% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.001281892836952946 (0.871225% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.001258915302834804 (1.80868% change)
- large trace change predicted (4.91517%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.001191045275990163 (5.5405% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.001138499727154077 (4.51123% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.00112217005831717 (1.44468% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.001108595699098917 (1.21701% change)
- large trace change predicted (3.33729%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.001069901372311806 (3.55239% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 0.001014621259259575 (5.30386% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 0.0009931819912349258 (2.13559% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.0009855932452828896 (0.767014% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.0009747198764360718 (1.10935% change)
- large trace change predicted (2.27865%)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.0009518762291513457 (2.3714% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 0.0009362068769205437 (1.65982% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.0009309620734048508 (0.561792% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.0009261399277891347 (0.519319% change)
- large trace change predicted (1.55474%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.0009114740521548155 (1.59619% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.000885157723534713 (2.92952% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 0.0008716930715392432 (1.53282% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0008661342145990267 (0.639748% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.0008582710080876835 (0.911991% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 0.0008422283021135275 (1.88682% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0008310961554440692 (1.33054% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.0008278256095158784 (0.394298% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.0008259581513831269 (0.225841% change)
- large trace change predicted (0.54409%)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0008214375662093993 (0.548816% change)
- large trace change predicted (1.31796%)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.000810457089246552 (1.34573% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.0008022185029618069 (1.02173% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.000799064159193558 (0.393977% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0007982674272893162 (0.0997579% change)
- large trace change predicted (0.511106%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0007941909654360605 (0.511971% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0007934194265668023 (0.097195% change)
- large trace change predicted (2.05123%)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.0007771906069134629 (2.06656% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0007749505868352607 (0.288636% change)
- large trace change predicted (3.32417%)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.0007492994742902132 (3.36574% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.0007303048045902645 (2.56753% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 0.0007296260899923329 (0.092979% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0007286441023607333 (0.134678% change)
- large trace change predicted (0.558198%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0007245873406189162 (0.558309% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0007180771875030859 (0.902518% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0007177753846900935 (0.0420381% change)
- large trace change predicted (0.226857%)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0007161515296084835 (0.226491% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.0007160330404445294 (0.0165466% change)
- large trace change predicted (0.465216%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0007127367071706359 (0.461423% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.0007126620769587756 (0.0104715% change)
- large trace change predicted (0.165499%)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.0007114852716408983 (0.165265% change)
- linmin: converged after 2 iterations.
- iteration 87: trace = 0.0007114282832243191 (0.0080101% change)
- large trace change predicted (0.095004%)
- linmin: converged after 2 iterations.
- iteration 88: trace = 0.000710752335651195 (0.0950579% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.0007107286747977002 (0.00332904% change)
- large trace change predicted (0.213089%)
- linmin: converged after 4 iterations.
- iteration 90: trace = 0.0007092078344352046 (0.214212% change)
- linmin: converged after 2 iterations.
- iteration 91: trace = 0.0007089701515793524 (0.0335195% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 0.0007085829024933058 (0.0546363% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 0.0007085381993806709 (0.006309% change)
- large trace change predicted (0.0927125%)
- linmin: converged after 4 iterations.
- iteration 94: trace = 0.0007078806538429843 (0.0928462% change)
- linmin: converged after 4 iterations.
- iteration 95: trace = 0.0007072074075412233 (0.0951526% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 0.0007068181437316314 (0.0550575% change)
- linmin: converged after 2 iterations.
- iteration 97: trace = 0.0007067093274619584 (0.0153964% change)
- large trace change predicted (0.0560665%)
- linmin: converged after 4 iterations.
- iteration 98: trace = 0.0007063118363032925 (0.0562612% change)
- linmin: converged after 2 iterations.
- iteration 99: trace = 0.0007061403184928472 (0.0242865% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0007060950996106257 (0.00640387% change)
- large trace change predicted (0.0267454%)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0007059060330955778 (0.0267799% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0007058881454635251 (0.00253403% change)
- large trace change predicted (0.0136289%)
- linmin: converged after 3 iterations.
- iteration 103: trace = 0.0007057919581194113 (0.0136274% change)
- linmin: converged after 3 iterations.
- iteration 104: trace = 0.0007057842514750095 (0.00109192% change)
- large trace change predicted (0.0186307%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 0.0007056529475520776 (0.0186057% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 0.0007056483369613913 (0.000653381% change)
- large trace change predicted (0.0148068%)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.0007055439182106634 (0.0147987% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 0.0007055329036022919 (0.00156116% change)
- large trace change predicted (0.0110758%)
- linmin: converged after 2 iterations.
- iteration 109: trace = 0.0007054546515592812 (0.0110918% change)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.0007054502743526807 (0.000620482% change)
- large trace change predicted (0.00195447%)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.0007054364838129145 (0.00195488% change)
- linmin: converged after 3 iterations.
- iteration 112: trace = 0.00070542386447461 (0.00178889% change)
- linmin: converged after 3 iterations.
- iteration 113: trace = 0.0007054118291849119 (0.00170612% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.000705406589596326 (0.000742773% change)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0007054022952448521 (0.000608779% change)
- large trace change predicted (0.00136007%)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.0007053927001440852 (0.00136024% change)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0007053920786219404 (8.81101e-05% change)
- large trace change predicted (0.00165021%)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.0007053804353967307 (0.00165062% change)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0007053797879385894 (9.17885e-05% change)
- large trace change predicted (0.000677675%)
- linmin: converged after 3 iterations.
- iteration 120: trace = 0.0007053750082370517 (0.000677609% change)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0007053742081007403 (0.000113434% change)
- large trace change predicted (0.000715979%)
- linmin: converged after 3 iterations.
- iteration 122: trace = 0.0007053691586075229 (0.000715863% change)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0007053690877136361 (1.00506e-05% change)
- large trace change predicted (0.000338665%)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0007053666990218524 (0.000338645% change)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0007053665919398855 (1.5181e-05% change)
- large trace change predicted (0.000210995%)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0007053651035997121 (0.000211003% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0007053650603494803 (6.13161e-06% change)
- large trace change predicted (3.74998e-05%)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0007053647958367587 (3.75001e-05% change)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.0007053645526035715 (3.44833e-05% change)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0007053644026624938 (2.12572e-05% change)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0007053642119763844 (2.70337e-05% change)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0007053641295694841 (1.16829e-05% change)
- large trace change predicted (3.47577e-05%)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.0007053638844030276 (3.47574e-05% change)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0007053638768681148 (1.06823e-06% change)
- large trace change predicted (6.4584e-05%)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.0007053634213077322 (6.45852e-05% change)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.000705363382080597 (5.56127e-06% change)
- large trace change predicted (2.17913e-05%)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.0007053632283731705 (2.17912e-05% change)
- linmin: converged after 2 iterations.
- iteration 138: trace = 0.0007053632203734074 (1.13413e-06% change)
- large trace change predicted (1.65302e-05%)
- linmin: converged after 2 iterations.
- iteration 139: trace = 0.0007053631037760395 (1.65301e-05% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 140: trace = 0.0007053630961879888 (1.07577e-06% change)
- large trace change predicted (8.44799e-06%)
- linmin: converged after 2 iterations.
- iteration 141: trace = 0.0007053630365991247 (8.44797e-06% change)
- linmin: converged after 2 iterations.
- iteration 142: trace = 0.0007053630328314389 (5.34148e-07% change)
-Finished solving for bands 1 to 1 after 142 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953
-elapsed time for k point: 0.6068642139434814
-total elapsed time for run: 0.6132857799530029
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.0063664913177490234
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.01396271668064178 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327684595598254 (5.03584% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313324005126226 (1.08751% change)
- near maximum in trace
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143110159340448 (13.8586% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.0105716647670391 (7.81208% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.01011480006995593 (4.41704% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.009876896507317543 (2.38002% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.008845869823225553 (11.0136% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008516806987345598 (3.79046% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.0083259027376308 (2.26691% change)
- large trace change predicted (6.10025%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007074435671147812 (16.2525% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.006841983821332298 (3.34068% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.006643948104508374 (2.93692% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.005865142910620674 (12.4518% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.005690265827181827 (3.02676% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.005358817859012478 (5.99956% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.004559992561401731 (16.1073% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.004422633268238755 (3.05833% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.004367501599121268 (1.2544% change)
- large trace change predicted (8.81855%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.00372526030351258 (15.872% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.003275912354850025 (12.8364% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.003217291914329528 (1.80559% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.003089322841871505 (4.05825% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.002788506790177374 (10.2356% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.002710327276287455 (2.84349% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.002673641018528812 (1.3628% change)
- large trace change predicted (6.80645%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.002438399819545466 (9.20342% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.002033628117715322 (18.1024% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.001932625575514644 (5.0931% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.001907447121669809 (1.31135% change)
- large trace change predicted (3.49617%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.001834380521685669 (3.9054% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.00169362700270968 (7.97921% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.001645862013262594 (2.86062% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.001621572416305719 (1.48677% change)
- large trace change predicted (5.19604%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.00152683730460767 (6.01797% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001331181621888311 (13.6917% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.001255055950247379 (5.88698% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.00123163863135193 (1.88341% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.001191185578475442 (3.33933% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.001115731224133547 (6.54158% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.001081930558997462 (3.07606% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.001070713334826591 (1.04218% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.001050332277581847 (1.92179% change)
- large trace change predicted (5.53461%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.0009871633721356356 (6.20064% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009348499846279036 (5.4436% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009186091628567765 (1.75249% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009053624949768703 (1.45251% change)
- large trace change predicted (4.01003%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008674888829837042 (4.27262% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008159178079870348 (6.12699% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 0.0007976349713553913 (2.26616% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.0007916172097507311 (0.757307% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007826476374209466 (1.13953% change)
- large trace change predicted (2.68833%)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007610683319630357 (2.79576% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007448033462340947 (2.16021% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007395059081794688 (0.713792% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007349897230015674 (0.612574% change)
- large trace change predicted (1.82366%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007213725308723415 (1.87003% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.0006974056183515871 (3.37853% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 0.0006857685870887716 (1.68266% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006809629613036115 (0.703229% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.000673706500779278 (1.07133% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006595597906839349 (2.12211% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006509089489947768 (1.32027% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006483901390010435 (0.387718% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006465124061252257 (0.290019% change)
- large trace change predicted (0.811341%)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006412331173751737 (0.819927% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006311167036481185 (1.59019% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006255870591535534 (0.880024% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006232810581626358 (0.369295% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006225571731986008 (0.116209% change)
- large trace change predicted (0.609983%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006187620007011797 (0.611474% change)
- large trace change predicted (1.73973%)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006080141760239587 (1.75221% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006035622678303802 (0.734895% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0005956759419083705 (1.31522% change)
- large trace change predicted (2.85632%)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005786878970696843 (2.89315% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.0005632744308379359 (2.69947% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005628726027644159 (0.0713633% change)
- large trace change predicted (0.145053%)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005620566909415205 (0.14506% change)
- large trace change predicted (0.920718%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.000556901268703327 (0.921468% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005530168479638756 (0.699947% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005523447937977833 (0.121599% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005519201577198722 (0.0769084% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005511154675303566 (0.145905% change)
- large trace change predicted (0.454137%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005486399805402559 (0.450189% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005483001043205825 (0.0619681% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005481437586057971 (0.0285187% change)
- large trace change predicted (0.103654%)
- linmin: converged after 3 iterations.
- iteration 87: trace = 0.000547576267322373 (0.103583% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005471173775120635 (0.0838389% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.0005469543549641633 (0.0298011% change)
- linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005468753842729244 (0.0144393% change)
- large trace change predicted (0.179336%)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005458908535775531 (0.180191% change)
- linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005457402126023019 (0.0275992% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005454536841265851 (0.0525165% change)
- linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005453725909014505 (0.0148682% change)
- large trace change predicted (0.0882481%)
- linmin: converged after 3 iterations.
- iteration 95: trace = 0.0005448913918825748 (0.088272% change)
- linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005447734720897967 (0.0216433% change)
- large trace change predicted (0.0981658%)
- linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005442386144206128 (0.0982281% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005442276851007091 (0.00200821% change)
- large trace change predicted (0.082279%)
- linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005437776922392897 (0.0827189% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005437640368095923 (0.00251125% change)
- large trace change predicted (0.0242661%)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005436318787459453 (0.0243073% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005436266544384924 (0.000961006% change)
- large trace change predicted (0.0202723%)
- linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005435163780755752 (0.0202874% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 0.0005435111183291713 (0.00096773% change)
- large trace change predicted (0.0121753%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005434449567637905 (0.0121737% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 0.0005434410274724705 (0.000723037% change)
- large trace change predicted (0.0153686%)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.0005433575837248268 (0.0153559% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 0.0005433559425935523 (0.000302036% change)
- large trace change predicted (0.0117648%)
- linmin: converged after 3 iterations.
- iteration 109: trace = 0.0005432920431469617 (0.0117608% change)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005432896628366095 (0.000438128% change)
- large trace change predicted (0.00949573%)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005432380426691929 (0.00950186% change)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005432331257739618 (0.000905113% change)
- large trace change predicted (0.00221037%)
- linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005432211163618246 (0.00221075% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005432204746704853 (0.000118127% change)
- large trace change predicted (0.00265795%)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005432060353819213 (0.00265813% change)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005432036139747535 (0.000445763% change)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005431990785113428 (0.000834951% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.000543197926406157 (0.000212097% change)
- large trace change predicted (0.000723263%)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005431939976708296 (0.000723263% change)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005431920389551495 (0.000360593% change)
- large trace change predicted (0.00103864%)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005431863971830759 (0.00103864% change)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005431852869783299 (0.000204388% change)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005431845310996196 (0.000139157% change)
- large trace change predicted (0.000337847%)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005431826959961974 (0.000337842% change)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.000543179521609897 (0.000584407% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005431788940633948 (0.000115532% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005431787781330771 (2.13429e-05% change)
- large trace change predicted (0.000240786%)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005431774702791236 (0.000240778% change)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005431773353970666 (2.4832e-05% change)
- large trace change predicted (0.000112502%)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005431767243155191 (0.000112501% change)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005431767142489218 (1.85328e-06% change)
- large trace change predicted (2.02553e-05%)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005431766042266928 (2.02553e-05% change)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005431765741613742 (5.53509e-06% change)
- large trace change predicted (3.94766e-05%)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005431763597343601 (3.94765e-05% change)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005431763503041117 (1.73613e-06% change)
- large trace change predicted (2.12872e-05%)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005431762346775193 (2.12871e-05% change)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005431762149598008 (3.63008e-06% change)
- large trace change predicted (1.89982e-05%)
- linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005431761117661102 (1.89982e-05% change)
- linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005431761082614662 (6.45213e-07% change)
-Finished solving for bands 1 to 1 after 139 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172
-elapsed time for k point: 0.5946991443634033
-total elapsed time for run: 0.6011345386505127
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.006358146667480469
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.01396294122459342 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327637332042484 (5.04101% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313625235226447 (1.06102% change)
- near maximum in trace
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.01142626466081183 (13.9236% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057784268141234 (7.71149% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.0101363985755588 (4.26223% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.00989707820952058 (2.3892% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.008886564416139161 (10.7595% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008565145991401027 (3.68352% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.008397849844174292 (1.97248% change)
- large trace change predicted (5.94936%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007175141845432881 (15.7029% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.006939886279340907 (3.33341% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.006754220864507001 (2.71161% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.005999068791962081 (11.8425% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.0058281432951154 (2.89038% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.005499745249140956 (5.79805% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 0.004689705950892465 (15.8996% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.004548216263075897 (3.06324% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.004494400626857838 (1.19027% change)
- large trace change predicted (8.55502%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.003852697661217761 (15.3755% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.00340144141458563 (12.4413% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.003342291500873249 (1.75422% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.00321073386637918 (4.01517% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.002909608419548036 (9.84015% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.00283313570204534 (2.66328% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.002795671508297314 (1.33116% change)
- large trace change predicted (6.68769%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.002551161055532764 (9.14599% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.002146624058585261 (17.2225% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.002047335440864749 (4.73484% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.002021075958936253 (1.2909% change)
- large trace change predicted (3.49827%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.001943283503181491 (3.92459% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.001807179549767166 (7.25798% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.001763263473829649 (2.45998% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.001737800359338515 (1.45459% change)
- large trace change predicted (5.25882%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.001633741627736746 (6.17277% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001441114809892523 (12.5292% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.001370755783738239 (5.00443% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.001346317415236346 (1.79887% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.001298937134882012 (3.58229% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.001218627642660845 (6.37993% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.001185961764721644 (2.71696% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.001174813105179725 (0.944492% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.001153265562994512 (1.8511% change)
- large trace change predicted (5.22719%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.001087433671155279 (5.87601% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.001034298521885585 (5.00866% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.00101785103501322 (1.60295% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.001004519468269755 (1.31841% change)
- large trace change predicted (3.61609%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.000966593968775963 (3.84813% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 0.0009133188303399611 (5.66783% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 0.0008935369733063531 (2.18964% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.0008868840069756368 (0.747348% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.0008772749495186759 (1.08936% change)
- large trace change predicted (2.44609%)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.0008552392129446339 (2.54379% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 0.000838952470009195 (1.92266% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.0008335405326943089 (0.64717% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.0008288283473223893 (0.566924% change)
- large trace change predicted (1.66737%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.0008147725921400057 (1.71036% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.0007900793485051223 (3.07732% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 0.0007778204750160264 (1.56373% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0007726674683073802 (0.664695% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.000764951390190671 (1.00364% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 0.0007496428368889608 (2.02147% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0007398684201165854 (1.31243% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.0007370458134004406 (0.38223% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.0007351918599742778 (0.251855% change)
- large trace change predicted (0.666574%)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0007302607013486256 (0.672988% change)
- large trace change predicted (1.44705%)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.0007195516691341203 (1.4773% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.000712771360890298 (0.946757% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.0007101173341151617 (0.373048% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0007093654384212544 (0.105939% change)
- large trace change predicted (0.55778%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0007054115335799733 (0.558944% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0007043508284997924 (0.15048% change)
- large trace change predicted (2.1297%)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.000689387783738453 (2.14718% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0006869429879500523 (0.355263% change)
- large trace change predicted (3.46402%)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.000663241973037774 (3.51078% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.0006461474496980401 (2.61107% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 0.0006453825708277717 (0.118445% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.000644771042408771 (0.0947993% change)
- large trace change predicted (0.757839%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0006399009415597467 (0.758186% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0006345766138962792 (0.835531% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0006342779858428429 (0.0470705% change)
- large trace change predicted (0.197479%)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0006330287779099248 (0.197144% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.0006328503458957967 (0.028191% change)
- large trace change predicted (0.477008%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0006298664595372162 (0.472614% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.0006297884416291778 (0.0123872% change)
- large trace change predicted (0.134896%)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.0006289405513806965 (0.134722% change)
- linmin: converged after 2 iterations.
- iteration 87: trace = 0.000628899974773689 (0.00645179% change)
- large trace change predicted (0.114108%)
- linmin: converged after 2 iterations.
- iteration 88: trace = 0.0006281819528922642 (0.114236% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.0006281612812704136 (0.00329076% change)
- large trace change predicted (0.19915%)
- linmin: converged after 4 iterations.
- iteration 90: trace = 0.0006269048027433132 (0.200225% change)
- linmin: converged after 2 iterations.
- iteration 91: trace = 0.0006268416995436522 (0.0100663% change)
- large trace change predicted (0.0707117%)
- linmin: converged after 4 iterations.
- iteration 92: trace = 0.0006263980312008425 (0.0708034% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 0.0006263687788696307 (0.00467004% change)
- large trace change predicted (0.100754%)
- linmin: converged after 2 iterations.
- iteration 94: trace = 0.0006257376260450361 (0.100815% change)
- linmin: converged after 2 iterations.
- iteration 95: trace = 0.0006254476225700605 (0.0463566% change)
- linmin: converged after 2 iterations.
- iteration 96: trace = 0.0006249214954457557 (0.0841555% change)
- linmin: converged after 2 iterations.
- iteration 97: trace = 0.0006249085073483286 (0.00207838% change)
- large trace change predicted (0.0655912%)
- linmin: converged after 2 iterations.
- iteration 98: trace = 0.0006244969880428537 (0.0658744% change)
- linmin: converged after 2 iterations.
- iteration 99: trace = 0.0006243594162144645 (0.0220316% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0006242411519433767 (0.0189435% change)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0006242120429824835 (0.0046632% change)
- large trace change predicted (0.0168475%)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0006241068170756991 (0.0168588% change)
- linmin: converged after 3 iterations.
- iteration 103: trace = 0.000624013238722175 (0.0149951% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 0.0006240067268226183 (0.00104356% change)
- large trace change predicted (0.0183095%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 0.0006238926340011864 (0.0182856% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 0.0006238881804011359 (0.000713843% change)
- large trace change predicted (0.0117224%)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.0006238150679887561 (0.0117195% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 0.0006238111858541368 (0.000622323% change)
- large trace change predicted (0.0102983%)
- linmin: converged after 2 iterations.
- iteration 109: trace = 0.0006237468869857381 (0.010308% change)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.000623743326660812 (0.000570798% change)
- large trace change predicted (0.00283281%)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.0006237256523971056 (0.00283362% change)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.0006237252184688532 (6.95704e-05% change)
- large trace change predicted (0.00313033%)
- linmin: converged after 2 iterations.
- iteration 113: trace = 0.0006237056946706671 (0.00313024% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0006237007607944512 (0.000791062% change)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0006236986742965005 (0.000334536% change)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.000623697778498448 (0.000143627% change)
- large trace change predicted (0.0013261%)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0006236895075212086 (0.00132613% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.0006236808514364127 (0.00138789% change)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0006236804477339186 (6.4729e-05% change)
- large trace change predicted (0.000231625%)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.0006236790031522427 (0.000231622% change)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0006236775448099834 (0.000233829% change)
- large trace change predicted (0.000893709%)
- linmin: converged after 3 iterations.
- iteration 122: trace = 0.0006236719715208735 (0.000893621% change)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0006236719287778083 (6.85345e-06% change)
- large trace change predicted (0.000268391%)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0006236702549673367 (0.00026838% change)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0006236701591373879 (1.53655e-05% change)
- large trace change predicted (0.000167545%)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0006236691142128373 (0.000167545% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0006236690826243759 (5.06494e-06% change)
- large trace change predicted (5.07594e-05%)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0006236687660521753 (5.07597e-05% change)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.0006236687434016006 (3.63183e-06% change)
- large trace change predicted (3.23205e-05%)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0006236685418293258 (3.23204e-05% change)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0006236684592828817 (1.32356e-05% change)
- large trace change predicted (2.8915e-05%)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0006236682789503639 (2.89148e-05% change)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.0006236681122852517 (2.67234e-05% change)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0006236680961513047 (2.58694e-06% change)
- large trace change predicted (1.20072e-05%)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.000623668021265655 (1.20073e-05% change)
- large trace change predicted (3.59892e-05%)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.0006236677968098799 (3.59896e-05% change)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.0006236677322588586 (1.03502e-05% change)
- linmin: converged after 1 iterations.
- iteration 138: trace = 0.0006236677264374833 (9.3341e-07% change)
-Finished solving for bands 1 to 1 after 138 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508
-elapsed time for k point: 0.5891773700714111
-total elapsed time for run: 0.5956087112426758
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.006380319595336914
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.01396271777714664 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327684379137825 (5.03587% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313325504767729 (1.08738% change)
- near maximum in trace
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143107375005632 (13.859% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057169175339375 (7.81158% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.01011490401426092 (4.41627% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.009876993337365355 (2.38007% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.008846068471211492 (11.0124% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008517042059079865 (3.78995% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.008326268487176006 (2.26527% change)
- large trace change predicted (6.09955%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007074915033229693 (16.2501% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.006842447360048019 (3.34069% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.006644462502915275 (2.93596% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.005865808450994881 (12.4482% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.005690963924738635 (3.02584% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.005359508692909242 (5.99893% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.004560607785792776 (16.1067% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.004423220513395261 (3.05855% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.004368098356079333 (1.25401% change)
- large trace change predicted (8.81704%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.003725891995251578 (15.8687% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.00327651711028274 (12.8349% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.003217890486465157 (1.80545% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.00308991731852105 (4.05761% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.002789088865306127 (10.234% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.002710905417307022 (2.84304% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.002674218255004265 (1.36254% change)
- large trace change predicted (6.80506%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.002438970620748649 (9.2016% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.002034189439707574 (18.0982% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.001933181199991457 (5.09195% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.001907998595881864 (1.31119% change)
- large trace change predicted (3.49571%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.001834919621318485 (3.90492% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.001694173099892836 (7.97636% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.001646415904548643 (2.85921% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.001622123158550252 (1.48646% change)
- large trace change predicted (5.19533%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.001527365709879191 (6.01732% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001331717514518891 (13.6861% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.001255605936798469 (5.88342% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.001232184429300583 (1.88292% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.001191709348123899 (3.33967% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.001116235085925415 (6.54039% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.001082435601355861 (3.07454% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.001071218102265449 (1.04172% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.001050833228231255 (1.92124% change)
- large trace change predicted (5.53279%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.000987653737035624 (6.19867% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009353331996882992 (5.44159% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009190902454992681 (1.75181% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009058432716870005 (1.45178% change)
- large trace change predicted (4.00783%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008679702052056745 (4.27024% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008163905684561146 (6.12454% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 0.0007981007598691239 (2.26571% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.0007920806224588651 (0.757164% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007831093799169881 (1.13907% change)
- large trace change predicted (2.68696%)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007615281850388767 (2.79434% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007452606117657019 (2.15924% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007399618151057359 (0.713536% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007354447922297769 (0.612309% change)
- large trace change predicted (1.82266%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007218265362412171 (1.86901% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.000697856188177079 (3.37686% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 0.0006862156205563847 (1.68208% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006814084079920771 (0.703002% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006741504129083885 (1.07085% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006599992909217021 (2.12137% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006513436270725466 (1.32012% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006488234806081219 (0.387665% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006469458212858577 (0.289814% change)
- large trace change predicted (0.810595%)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006416678507492177 (0.81917% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006315481800942865 (1.58962% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006260133894750784 (0.880242% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006237060645345516 (0.369255% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006229820697130229 (0.116147% change)
- large trace change predicted (0.609708%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006191860209832679 (0.611197% change)
- large trace change predicted (1.75539%)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006083342491997321 (1.76808% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006039816651696602 (0.718061% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0005953484410814782 (1.43967% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005790995758315432 (2.76706% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.000563661273599037 (2.70193% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005632765099685388 (0.0682848% change)
- large trace change predicted (0.152934%)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005624156810539749 (0.152942% change)
- large trace change predicted (0.911932%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005573060269262937 (0.912665% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005534006161062365 (0.70323% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005527443191066584 (0.118664% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.000552321941087918 (0.0764439% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005515158430645728 (0.146054% change)
- large trace change predicted (0.4562%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005490274322829425 (0.452215% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005486973491247433 (0.0601395% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005485468627342601 (0.0274299% change)
- large trace change predicted (0.104833%)
- linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005479724982133001 (0.104761% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005475044292173427 (0.0854548% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.0005473523724160804 (0.0277766% change)
- linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005472797511589897 (0.0132686% change)
- large trace change predicted (0.180542%)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005462878420895008 (0.181408% change)
- linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005461204694109087 (0.0306429% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005458502963189519 (0.0494836% change)
- linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005457795958088253 (0.0129532% change)
- large trace change predicted (0.0900913%)
- linmin: converged after 3 iterations.
- iteration 95: trace = 0.0005452879826596135 (0.090116% change)
- linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005451433594486787 (0.0265259% change)
- large trace change predicted (0.0932206%)
- linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005446351038593462 (0.0932769% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005446244809466873 (0.00195048% change)
- large trace change predicted (0.0828769%)
- linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005441708676880529 (0.0833239% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005441560011681691 (0.002732% change)
- large trace change predicted (0.0234907%)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005440279807558005 (0.0235292% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005440224863447266 (0.00100996% change)
- large trace change predicted (0.0204396%)
- linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005439112184856256 (0.0204549% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 0.0005439049728355746 (0.00114829% change)
- large trace change predicted (0.011884%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005438403475056866 (0.0118824% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 0.0005438367330665794 (0.000664616% change)
- large trace change predicted (0.0154665%)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.000543752697087774 (0.0154536% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 0.0005437509115474623 (0.000328374% change)
- large trace change predicted (0.011514%)
- linmin: converged after 3 iterations.
- iteration 109: trace = 0.0005436883284916223 (0.0115102% change)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005436849331146313 (0.00062451% change)
- large trace change predicted (0.00985792%)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005436313037312725 (0.00986454% change)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.000543628223359947 (0.00056663% change)
- large trace change predicted (0.00213147%)
- linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005436166343014158 (0.00213182% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005436156475184067 (0.000181522% change)
- large trace change predicted (0.00286181%)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005436000893753474 (0.00286202% change)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005435987502667296 (0.000246341% change)
- large trace change predicted (0.00070217%)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005435949333241007 (0.000702164% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005435930347529871 (0.000349263% change)
- large trace change predicted (0.00086659%)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005435883240482468 (0.00086659% change)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005435871532213766 (0.000215389% change)
- large trace change predicted (0.000869521%)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005435824266264684 (0.000869523% change)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005435804116347931 (0.000370688% change)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005435791733251679 (0.000227806% change)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005435778115970986 (0.000250512% change)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005435752134192813 (0.000477978% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005435740105292129 (0.000221293% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005435737678654199 (4.46423e-05% change)
- large trace change predicted (0.000217273%)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005435725868624831 (0.000217267% change)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005435725178690948 (1.26926e-05% change)
- large trace change predicted (0.000125579%)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005435718352625732 (0.000125578% change)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005435718240520756 (2.06238e-06% change)
- large trace change predicted (1.96195e-05%)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005435717174059936 (1.96195e-05% change)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005435717029106233 (2.66669e-06% change)
- large trace change predicted (4.27178e-05%)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005435714707094402 (4.27177e-05% change)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005435714592337895 (2.11116e-06% change)
- large trace change predicted (2.06103e-05%)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005435713472024306 (2.06102e-05% change)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005435713377516348 (1.73865e-06% change)
- large trace change predicted (2.10132e-05%)
- linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005435712235298091 (2.10132e-05% change)
- linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005435712197209179 (7.00716e-07% change)
-Finished solving for bands 1 to 1 after 139 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
-elapsed time for k point: 0.5928089618682861
-total elapsed time for run: 0.5992586612701416
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.006361722946166992
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.01396282863191971 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327661774820583 (5.03836% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313475705921865 (1.07424% change)
- near maximum in trace
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.01142848206012068 (13.8929% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.0105745914603802 (7.76156% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.01012549991920008 (4.33903% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.009886881715102248 (2.38471% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.008866172559986736 (10.8858% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008540877170779537 (3.73751% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.008362498806995414 (2.11056% change)
- large trace change predicted (6.02681%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007124056947380951 (15.9938% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.006890108051135823 (3.33875% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.006697796647905136 (2.83063% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.005932474498657827 (12.1189% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.005760215701243487 (2.94644% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.005429156740668333 (5.91738% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.004623726930956197 (16.0239% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.004483952645945583 (3.06937% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.004429612849642655 (1.21926% change)
- large trace change predicted (8.67783%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.003789077339118057 (15.5873% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.003338025666279788 (12.6574% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.00327898744641217 (1.78444% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.003149820606564701 (4.01838% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.002848331511886086 (10.0527% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.002770456695464114 (2.77194% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.002733517993169456 (1.34226% change)
- large trace change predicted (6.7119%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.00249541866449024 (9.10699% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.002090277746198257 (17.6698% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.001989520888825912 (4.93931% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.001963871598318604 (1.29758% change)
- large trace change predicted (3.47594%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.001888954636065791 (3.88894% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.001749742206438526 (7.65177% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.001703401511992632 (2.68397% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.001678658569913396 (1.46319% change)
- large trace change predicted (5.18144%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.001580381819025861 (6.03102% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001385927759964756 (13.1108% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.00131210670344504 (5.47221% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.001288217074245376 (1.83743% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.00124481280291372 (3.42706% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.001167068511292494 (6.44678% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.001133684462048501 (2.90201% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.001122485570886648 (0.992735% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.001101592563319621 (1.8788% change)
- large trace change predicted (5.3706%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.001037151673680227 (6.02605% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009842870945510444 (5.23039% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009678995947540669 (1.67889% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009546160438150928 (1.38189% change)
- large trace change predicted (3.80118%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.0009167470664856399 (4.04721% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008643207672027525 (5.88706% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 0.0008453159364097478 (2.22326% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.0008390202919907254 (0.747552% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.0008298051200213573 (1.10439% change)
- large trace change predicted (2.55833%)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.0008080190557803306 (2.66037% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007916285670295825 (2.04926% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007862346773215591 (0.683695% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007816219256395592 (0.588415% change)
- large trace change predicted (1.73592%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007678304831492513 (1.78017% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.0007435387853682708 (3.21453% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 0.0007315946497627243 (1.6194% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0007266202507370197 (0.682259% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.0007191451122385416 (1.03407% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.0007044525977511783 (2.06414% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.000695282534000708 (1.31026% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006926243539884183 (0.383049% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006907570462260792 (0.269963% change)
- large trace change predicted (0.737695%)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006856288673866012 (0.745166% change)
- large trace change predicted (1.50311%)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006751905099789865 (1.53413% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006690887107595544 (0.907817% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006666308441647106 (0.368021% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.000665894766388085 (0.110479% change)
- large trace change predicted (0.583051%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006620147964762438 (0.584373% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006593874374263351 (0.397662% change)
- large trace change predicted (1.97433%)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006463944470280221 (1.99007% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0006439167969048978 (0.384039% change)
- large trace change predicted (3.60299%)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.0006208046970256257 (3.65489% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.0006051224312618966 (2.55843% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 0.000604072952216302 (0.173583% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0006035815759969485 (0.081377% change)
- large trace change predicted (0.878809%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005982971756225091 (0.879357% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005936478812236818 (0.780119% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005932851237798021 (0.0611252% change)
- large trace change predicted (0.129434%)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005925186070023991 (0.129282% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.000591960055657803 (0.0943118% change)
- large trace change predicted (0.482135%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005891395700538928 (0.477603% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005890401124208346 (0.0168833% change)
- large trace change predicted (0.0998023%)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005884530666239399 (0.0997111% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005882459274655779 (0.0352068% change)
- large trace change predicted (0.114927%)
- linmin: converged after 4 iterations.
- iteration 88: trace = 0.0005875693650862351 (0.11508% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.000587543305272246 (0.00443529% change)
- large trace change predicted (0.146911%)
- linmin: converged after 4 iterations.
- iteration 90: trace = 0.0005866773124815705 (0.147501% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005863762211877528 (0.0513346% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 0.0005859485425552975 (0.0729625% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005859110908195348 (0.00639185% change)
- large trace change predicted (0.101499%)
- linmin: converged after 3 iterations.
- iteration 94: trace = 0.0005853164619594724 (0.101539% change)
- linmin: converged after 2 iterations.
- iteration 95: trace = 0.0005852989941774284 (0.00298438% change)
- large trace change predicted (0.116394%)
- linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005846175651491142 (0.116492% change)
- linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005845742989223282 (0.00740105% change)
- large trace change predicted (0.0708106%)
- linmin: converged after 3 iterations.
- iteration 98: trace = 0.0005841585976179939 (0.0711371% change)
- linmin: converged after 2 iterations.
- iteration 99: trace = 0.0005841389166807432 (0.00336917% change)
- large trace change predicted (0.0329036%)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005839462671581598 (0.0329855% change)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005839312924220021 (0.00256444% change)
- large trace change predicted (0.020159%)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005838134979407432 (0.0201747% change)
- linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005837926977464084 (0.00356288% change)
- large trace change predicted (0.0112663%)
- linmin: converged after 3 iterations.
- iteration 104: trace = 0.0005837269323053717 (0.0112658% change)
- linmin: converged after 2 iterations.
- iteration 105: trace = 0.0005837235328225447 (0.000582377% change)
- large trace change predicted (0.0172364%)
- linmin: converged after 3 iterations.
- iteration 106: trace = 0.0005836230367732186 (0.0172179% change)
- linmin: converged after 2 iterations.
- iteration 107: trace = 0.0005836125833709429 (0.00179114% change)
- large trace change predicted (0.0105648%)
- linmin: converged after 3 iterations.
- iteration 108: trace = 0.0005835509463284357 (0.0105619% change)
- linmin: converged after 2 iterations.
- iteration 109: trace = 0.000583548943557202 (0.000343205% change)
- large trace change predicted (0.0100451%)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005834902830011359 (0.0100529% change)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005834861943973579 (0.000700717% change)
- large trace change predicted (0.00228227%)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005834728751719851 (0.00228272% change)
- linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005834693550790069 (0.000603302% change)
- large trace change predicted (0.00250098%)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005834547623777851 (0.00250105% change)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005834540404858312 (0.000123727% change)
- large trace change predicted (0.000981181%)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005834483159081683 (0.000981158% change)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005834430901088896 (0.000895679% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005834414461653333 (0.000281766% change)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005834400433657492 (0.000240436% change)
- large trace change predicted (0.00122504%)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005834328958089031 (0.00122508% change)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005834306998253623 (0.000376391% change)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005834302300646657 (8.0517e-05% change)
- large trace change predicted (0.000409962%)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005834278383109859 (0.000409948% change)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005834254794106206 (0.000404318% change)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005834241979465602 (0.000219645% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005834239135666899 (4.87433e-05% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.000583423502971132 (7.03769e-05% change)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.000583422949230357 (9.49124e-05% change)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005834227993077978 (2.56971e-05% change)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005834227684917472 (5.28194e-06% change)
- large trace change predicted (3.57128e-05%)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005834225601355955 (3.57127e-05% change)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005834225295461993 (5.24309e-06% change)
- large trace change predicted (2.86351e-05%)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.000583422362483298 (2.8635e-05% change)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005834223464450269 (2.749e-06% change)
- large trace change predicted (2.51074e-05%)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005834221999629405 (2.51074e-05% change)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.00058342219538993 (7.83825e-07% change)
-Finished solving for bands 1 to 1 after 136 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282
-elapsed time for k point: 0.5885584354400635
-total elapsed time for run: 0.5949974060058594
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.006359577178955078
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.01396271777790268 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.0132768437898853 (5.03587% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313325505801723 (1.08738% change)
- near maximum in trace
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143107373087121 (13.859% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057169177201356 (7.81158% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.01011490408594478 (4.41627% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.009876993404148784 (2.38007% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.008846068608208342 (11.0124% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.00851704222118967 (3.78995% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.008326268739342033 (2.26527% change)
- large trace change predicted (6.09955%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007074915363859004 (16.2501% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.006842447679768137 (3.34069% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.006644462857760522 (2.93596% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.005865808909872059 (12.4482% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.00569096440599527 (3.02584% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.005359509169257514 (5.99893% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.00456060821010163 (16.1067% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.004423220918456057 (3.05855% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.004368098767679029 (1.25401% change)
- large trace change predicted (8.81704%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.003725892430729385 (15.8687% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.003276517527304132 (12.8349% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.003217890899247688 (1.80545% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.003089917728392793 (4.05761% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.002789089266694633 (10.234% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.002710905816060592 (2.84304% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.002674218653116322 (1.36254% change)
- large trace change predicted (6.80505%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.00243897101418499 (9.2016% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.00203418982666898 (18.0982% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.001933181583112908 (5.09195% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.001907998976138277 (1.31119% change)
- large trace change predicted (3.49571%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.001834919992986375 (3.90492% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.001694173476476021 (7.97636% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.001646416286574502 (2.85921% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.001622123538390835 (1.48646% change)
- large trace change predicted (5.19533%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.001527366074183369 (6.01732% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001331717884040442 (13.6861% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.001255606316142469 (5.88342% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.001232184805750662 (1.88292% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.001191709709301622 (3.33967% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.001116235433342012 (6.54039% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.001082435949626725 (3.07454% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.001071218450353899 (1.04172% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.001050833573672995 (1.92124% change)
- large trace change predicted (5.53279%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.000987654075150004 (6.19866% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009353335328902478 (5.44159% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009190905772391868 (1.75181% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.000905843603216562 (1.45178% change)
- large trace change predicted (4.00783%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008679705371086195 (4.27024% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008163908944570634 (6.12453% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 0.0007981010810609025 (2.26571% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.0007920809420089687 (0.757164% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007831096983086388 (1.13907% change)
- large trace change predicted (2.68696%)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007615285021284734 (2.79434% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007452609270861203 (2.15924% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007399621294935281 (0.713536% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007354451060384531 (0.612309% change)
- large trace change predicted (1.82266%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007218268493096498 (1.86901% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.0006978564988841939 (3.37686% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 0.0006862159288337826 (1.68208% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006814087151743126 (0.703002% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006741507190228429 (1.07085% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006599995939804922 (2.12137% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.000651343926804659 (1.32012% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006488237794191125 (0.387665% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.000646946120148165 (0.289814% change)
- large trace change predicted (0.810595%)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.000641668150522155 (0.81917% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006315484776209362 (1.58962% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006260136834488207 (0.880242% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006237063575942236 (0.369255% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006229823626969904 (0.116147% change)
- large trace change predicted (0.609708%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.000619186313363401 (0.611197% change)
- large trace change predicted (1.7554%)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006083344731002494 (1.76809% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006039819543710381 (0.71805% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0005953481802038172 (1.43977% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005790998597029591 (2.76697% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.0005636615393466568 (2.70193% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005632767884740382 (0.0682825% change)
- large trace change predicted (0.15294%)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005624159234450237 (0.152948% change)
- large trace change predicted (0.911925%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005573063060494775 (0.912658% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.000553400878652251 (0.703233% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005527445946537723 (0.118661% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005523222163975608 (0.0764439% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005515161191541144 (0.146053% change)
- large trace change predicted (0.456202%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005490276985997455 (0.452217% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.000548697623118544 (0.0601381% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005485471396887906 (0.0274293% change)
- large trace change predicted (0.104834%)
- linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005479727715173951 (0.104762% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005475046960304025 (0.085456% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.0005473526468641912 (0.0277752% change)
- linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005472800290351699 (0.013268% change)
- large trace change predicted (0.180543%)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005462881158369006 (0.181409% change)
- linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005461207310184977 (0.0306451% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005458505697904451 (0.0494814% change)
- linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005457798750558736 (0.0129521% change)
- large trace change predicted (0.0900923%)
- linmin: converged after 3 iterations.
- iteration 95: trace = 0.0005452882561276532 (0.090117% change)
- linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005451436125152974 (0.0265296% change)
- large trace change predicted (0.0932169%)
- linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005446353772540491 (0.0932731% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005446247544126957 (0.00195047% change)
- large trace change predicted (0.0828773%)
- linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005441711389173067 (0.0833242% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005441562712543187 (0.0027322% change)
- large trace change predicted (0.0234901%)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005440282539104994 (0.0235286% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.000544022759221365 (0.00101001% change)
- large trace change predicted (0.0204397%)
- linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005439114907770442 (0.020455% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 0.000543905244210137 (0.00114846% change)
- large trace change predicted (0.0118837%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005438406201691171 (0.0118822% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 0.0005438370058016967 (0.000664603% change)
- large trace change predicted (0.0154666%)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.0005437529695585573 (0.0154537% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 0.0005437511838185131 (0.000328411% change)
- large trace change predicted (0.0115138%)
- linmin: converged after 3 iterations.
- iteration 109: trace = 0.0005436886018592078 (0.01151% change)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.000543685205660315 (0.000624661% change)
- large trace change predicted (0.00985811%)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005436315751933429 (0.00986474% change)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005436284957862589 (0.000566453% change)
- large trace change predicted (0.0021314%)
- linmin: converged after 2 iterations.
- iteration 113: trace = 0.000543616907074114 (0.00213176% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005436159200036227 (0.000181575% change)
- large trace change predicted (0.00286192%)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005436003612569438 (0.00286213% change)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005435990227288949 (0.000246234% change)
- large trace change predicted (0.000702071%)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005435952063251706 (0.000702065% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005435933071971916 (0.000349365% change)
- large trace change predicted (0.000866676%)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005435885960222554 (0.000866676% change)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005435874256683229 (0.000215302% change)
- large trace change predicted (0.00086939%)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005435826997818801 (0.000869392% change)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005435806840891876 (0.000370817% change)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005435794453874277 (0.000227878% change)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005435780840457302 (0.000250441% change)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005435754863202293 (0.000477895% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.000543574282977934 (0.000221376% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005435740401792663 (4.46671e-05% change)
- large trace change predicted (0.000217248%)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005435728593115397 (0.000217242% change)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.000543572790346718 (1.26873e-05% change)
- large trace change predicted (0.000125585%)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005435721077078849 (0.000125584% change)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005435720964946914 (2.06287e-06% change)
- large trace change predicted (1.96188e-05%)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005435719898524405 (1.96188e-05% change)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005435719753635313 (2.6655e-06% change)
- large trace change predicted (4.27192e-05%)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005435717431546869 (4.27191e-05% change)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005435717316753547 (2.11183e-06% change)
- large trace change predicted (2.06095e-05%)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005435716196484011 (2.06094e-05% change)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005435716102019965 (1.73784e-06% change)
- large trace change predicted (2.10141e-05%)
- linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005435714959753406 (2.10141e-05% change)
- linmin: converged after 2 iterations.
- iteration 139: trace = 0.000543571492165385 (7.00912e-07% change)
-Finished solving for bands 1 to 1 after 139 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
-elapsed time for k point: 0.6037869453430176
-total elapsed time for run: 0.6102228164672852
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.0063898563385009766
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.01396277298196032 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327673301526956 (5.0371% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313400658270516 (1.08082% change)
- near maximum in trace
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.0114297290608976 (13.8764% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057309468687718 (7.78659% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.01012016037562427 (4.3776% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.009881894700145501 (2.38241% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.008856077207278063 (10.9491% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.00852889711208356 (3.76394% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.008344493547057696 (2.18573% change)
- large trace change predicted (6.06381%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007099225571323723 (16.1265% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.006865992373895782 (3.3402% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.00667070716334527 (2.88527% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.00589915660385347 (12.2762% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.005725769822099184 (2.98302% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.005394233041223711 (5.96289% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.004591812089424818 (16.0708% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.00445313251050142 (3.06646% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.004398441239820115 (1.23574% change)
- large trace change predicted (8.74475%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.003757498063073872 (15.7172% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.003307049624969673 (12.7524% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.003248169195357291 (1.79644% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.003119780808147482 (4.03233% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.002818482765278311 (10.1477% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.002740289464254404 (2.81333% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.002703514636485685 (1.35107% change)
- large trace change predicted (6.74778%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.002467359186283222 (9.13406% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.002062259933127763 (17.8867% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.001961187580402064 (5.02417% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.001935785449808109 (1.30369% change)
- large trace change predicted (3.47972%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.001861930146333954 (3.88946% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.001721746455471433 (7.82346% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.001674547855855682 (2.77942% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.001650063402976132 (1.47292% change)
- large trace change predicted (5.17495%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.001553854523947406 (6.0057% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001358699736264833 (13.4009% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.001283533375633954 (5.68961% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.001259889741029367 (1.8592% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.001218118516427464 (3.37135% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.001141570259086561 (6.488% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.001107914320244999 (2.99232% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.001096696612124706 (1.01766% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.00107608511348011 (1.89725% change)
- large trace change predicted (5.44733%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.001012315861074889 (6.10699% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009596843822365965 (5.33788% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009433542370176429 (1.71622% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009300901235621667 (1.41601% change)
- large trace change predicted (3.90141%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008922288348191729 (4.15529% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008402236786292222 (6.00365% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 0.0008215818528877113 (2.24356% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.0008154335389723907 (0.751161% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.0008063590029107708 (1.11907% change)
- large trace change predicted (2.62064%)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007846792856303563 (2.72523% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007683178497697246 (2.10708% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007629615245124783 (0.699588% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007583989713909217 (0.599799% change)
- large trace change predicted (1.77635%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007447092847884817 (1.82152% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.0007205764148180748 (3.29395% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 0.0007087748391403244 (1.65132% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0007038858193914895 (0.692172% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006965316867071886 (1.05028% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006821310634054504 (2.08907% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006732272502924638 (1.31387% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006706397275840157 (0.385086% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006687664955433125 (0.279711% change)
- large trace change predicted (0.773811%)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006635582625729859 (0.781826% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006532764523642646 (1.56159% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.000647471635683386 (0.892535% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006450938580202934 (0.367916% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006443641358049454 (0.113183% change)
- large trace change predicted (0.596167%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006405250771876931 (0.59757% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006341861459408103 (0.994567% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006251090623055943 (1.44161% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0006222593712673886 (0.456912% change)
- large trace change predicted (3.61349%)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005998530474227994 (3.66682% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.000584377672190079 (2.61357% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005836056887257933 (0.132191% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005831765145368019 (0.0735654% change)
- large trace change predicted (0.940528%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005777134988166324 (0.941177% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005735210833030355 (0.728334% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005729501811564757 (0.0995929% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005724824656888314 (0.0816662% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005716748811387682 (0.141167% change)
- large trace change predicted (0.473833%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005689973367340476 (0.469468% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005688164359378534 (0.031798% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005685241086939911 (0.0514054% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005680601706819044 (0.0816372% change)
- linmin: converged after 4 iterations.
- iteration 88: trace = 0.0005674452625840404 (0.108306% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.0005673892515685999 (0.00987122% change)
- large trace change predicted (0.0466111%)
- linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005671245107237177 (0.0466704% change)
- large trace change predicted (0.149567%)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005662735341357651 (0.150164% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 0.0005659201341625185 (0.0624275% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005658242203234273 (0.0169497% change)
- large trace change predicted (0.0719274%)
- linmin: converged after 3 iterations.
- iteration 94: trace = 0.0005654172724822857 (0.0719471% change)
- linmin: converged after 2 iterations.
- iteration 95: trace = 0.0005652372676748607 (0.0318408% change)
- large trace change predicted (0.0910646%)
- linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005647224630710792 (0.0911191% change)
- linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005645479868322843 (0.0309007% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005643908579115849 (0.0278366% change)
- linmin: converged after 2 iterations.
- iteration 99: trace = 0.0005641061419384266 (0.0504593% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005639955170980961 (0.0196126% change)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005639228619948328 (0.012883% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005638118885822105 (0.0196808% change)
- linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005638049972376018 (0.00122228% change)
- large trace change predicted (0.0112905%)
- linmin: converged after 3 iterations.
- iteration 104: trace = 0.000563741348089987 (0.0112899% change)
- linmin: converged after 2 iterations.
- iteration 105: trace = 0.0005637272110879474 (0.00250774% change)
- large trace change predicted (0.0167509%)
- linmin: converged after 3 iterations.
- iteration 106: trace = 0.0005636328809173244 (0.0167347% change)
- linmin: converged after 2 iterations.
- iteration 107: trace = 0.0005636302139016803 (0.000473184% change)
- large trace change predicted (0.011255%)
- linmin: converged after 3 iterations.
- iteration 108: trace = 0.0005635668014332474 (0.0112514% change)
- linmin: converged after 2 iterations.
- iteration 109: trace = 0.0005635622082828253 (0.000815018% change)
- large trace change predicted (0.0100084%)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005635057669609721 (0.0100156% change)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005635037764394931 (0.00035324% change)
- large trace change predicted (0.0026277%)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005634889662202282 (0.00262827% change)
- linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005634882607324401 (0.0001252% change)
- large trace change predicted (0.00291264%)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005634718475843435 (0.00291282% change)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005634714736823187 (6.63568e-05% change)
- large trace change predicted (0.000998649%)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005634658467070818 (0.000998631% change)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005634622717771309 (0.000634456% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.000563459231407282 (0.000539589% change)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005634586824728996 (9.74222e-05% change)
- large trace change predicted (0.00131778%)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005634512572225869 (0.00131781% change)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.000563449541599581 (0.000304485% change)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005634488966648199 (0.000114462% change)
- large trace change predicted (0.000368054%)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005634468229267067 (0.000368044% change)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005634443003502092 (0.000447705% change)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005634433325083529 (0.000171773% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005634428207723486 (9.0823e-05% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005634422976097212 (9.28511e-05% change)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005634420043699701 (5.20443e-05% change)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.000563441846756934 (2.79733e-05% change)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005634418013849262 (8.05265e-06% change)
- large trace change predicted (3.45757e-05%)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005634416065711358 (3.45757e-05% change)
- linmin: converged after 1 iterations.
- iteration 132: trace = 0.0005634415918236781 (2.61739e-06% change)
- large trace change predicted (2.99597e-05%)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.000563441423019242 (2.99595e-05% change)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005634414058051567 (3.05517e-06% change)
- large trace change predicted (2.45802e-05%)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.000563441267310489 (2.45801e-05% change)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005634412596039246 (1.36777e-06% change)
- large trace change predicted (3.39941e-05%)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.000563441068065134 (3.39945e-05% change)
- linmin: converged after 2 iterations.
- iteration 138: trace = 0.000563441055533467 (2.22413e-06% change)
- large trace change predicted (8.09133e-06%)
- linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005634410099435899 (8.09133e-06% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 140: trace = 0.0005634410032175157 (1.19375e-06% change)
- large trace change predicted (4.46351e-06%)
- linmin: converged after 2 iterations.
- iteration 141: trace = 0.0005634409780683264 (4.4635e-06% change)
- linmin: converged after 2 iterations.
- iteration 142: trace = 0.0005634409654746057 (2.23514e-06% change)
- large trace change predicted (1.00797e-05%)
- linmin: converged after 2 iterations.
- iteration 143: trace = 0.000563440908681759 (1.00796e-05% change)
- linmin: converged after 2 iterations.
- iteration 144: trace = 0.0005634408822215145 (4.69619e-06% change)
- linmin: converged after 2 iterations.
- iteration 145: trace = 0.0005634408794977984 (4.83408e-07% change)
-Finished solving for bands 1 to 1 after 145 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486
-elapsed time for k point: 0.6319451332092285
-total elapsed time for run: 0.6384108066558838
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.006421566009521484
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.01396271777790279 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327684378988494 (5.03587% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313325505801603 (1.08738% change)
- near maximum in trace
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143107373144121 (13.859% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057169177222653 (7.81158% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.01011490408588507 (4.41627% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.009876993403842299 (2.38007% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.008846068607488024 (11.0124% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008517042220860731 (3.78995% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.008326268738647074 (2.26527% change)
- large trace change predicted (6.09955%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007074915362624252 (16.2501% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.006842447678833311 (3.34069% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.00664446285672118 (2.93596% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.005865808909923032 (12.4482% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.005690964406404344 (3.02584% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.005359509169344881 (5.99893% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.004560608209595262 (16.1067% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.004423220917694077 (3.05855% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.004368098767029675 (1.25401% change)
- large trace change predicted (8.81704%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.003725892431128894 (15.8687% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.003276517527324271 (12.8349% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.003217890899157785 (1.80545% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.003089917728547439 (4.05761% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.002789089266618841 (10.234% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.002710905815738305 (2.84304% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.002674218652875282 (1.36254% change)
- large trace change predicted (6.80505%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.00243897101490796 (9.2016% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.002034189827192646 (18.0982% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.001933181583249696 (5.09195% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.001907998976246106 (1.31119% change)
- large trace change predicted (3.49571%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.001834919993232512 (3.90492% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.00169417347662858 (7.97636% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.00164641628661143 (2.85921% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.001622123538465078 (1.48646% change)
- large trace change predicted (5.19533%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.001527366074588424 (6.01732% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001331717884497108 (13.6861% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.001255606316413764 (5.88342% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.001232184805990462 (1.88292% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.001191709709568645 (3.33967% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.001116235433540852 (6.54039% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.001082435949737259 (3.07454% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.001071218450456544 (1.04172% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.001050833573828031 (1.92124% change)
- large trace change predicted (5.53279%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.0009876540753778747 (6.19866% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009353335330162741 (5.44159% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009190905773283304 (1.75181% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009058436033259624 (1.45178% change)
- large trace change predicted (4.00783%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008679705373050075 (4.27024% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008163908946178317 (6.12453% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 0.000798101081167986 (2.26571% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.0007920809421090972 (0.757164% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007831096984263138 (1.13907% change)
- large trace change predicted (2.68696%)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007615285022581599 (2.79434% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 0.00074526092717319 (2.15924% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.000739962129565436 (0.713536% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.000735445106115202 (0.612309% change)
- large trace change predicted (1.82266%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007218268494206957 (1.86901% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.0006978564990025276 (3.37686% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 0.0006862159289314136 (1.68208% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006814087152697722 (0.703002% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006741507191304969 (1.07085% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006599995940863893 (2.12137% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006513439268837216 (1.32012% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006488237794904634 (0.387665% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006469461202214508 (0.289814% change)
- large trace change predicted (0.810595%)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006416681506092607 (0.81917% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.000631548477707126 (1.58962% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006260136835193845 (0.880242% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006237063576621431 (0.369255% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006229823627653167 (0.116147% change)
- large trace change predicted (0.609708%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006191863134314227 (0.611197% change)
- large trace change predicted (1.7554%)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006083344730353767 (1.76809% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006039819544200522 (0.71805% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0005953481792472999 (1.43977% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005790998597313385 (2.76697% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.0005636615393738378 (2.70193% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005632767885227017 (0.0682825% change)
- large trace change predicted (0.15294%)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005624159234313865 (0.152949% change)
- large trace change predicted (0.911925%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005573063060820175 (0.912658% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.000553400878679191 (0.703233% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005527445947027221 (0.118661% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.000552322216445876 (0.0764439% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005515161192022421 (0.146053% change)
- large trace change predicted (0.456202%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005490276986335131 (0.452217% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005486976231642433 (0.0601381% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005485471397401571 (0.0274293% change)
- large trace change predicted (0.104834%)
- linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005479727715635808 (0.104762% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005475046960657026 (0.085456% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.000547352646911789 (0.0277752% change)
- linmin: converged after 2 iterations.
- iteration 90: trace = 0.0005472800290891111 (0.013268% change)
- large trace change predicted (0.180543%)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005462881158850852 (0.181409% change)
- linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005461207310462049 (0.0306451% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005458505698385592 (0.0494814% change)
- linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005457798751141933 (0.0129521% change)
- large trace change predicted (0.0900923%)
- linmin: converged after 3 iterations.
- iteration 95: trace = 0.000545288256175192 (0.090117% change)
- linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005451436125284867 (0.0265296% change)
- large trace change predicted (0.0932169%)
- linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005446353773024541 (0.0932731% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005446247544612204 (0.00195047% change)
- large trace change predicted (0.0828773%)
- linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005441711389625204 (0.0833242% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005441562712975067 (0.0027322% change)
- large trace change predicted (0.0234901%)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005440282539585556 (0.0235286% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005440227592689452 (0.00101001% change)
- large trace change predicted (0.0204397%)
- linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005439114908238702 (0.020455% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 0.0005439052442553742 (0.00114846% change)
- large trace change predicted (0.0118837%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005438406202165286 (0.0118822% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 0.0005438370058492352 (0.000664603% change)
- large trace change predicted (0.0154666%)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.0005437529696057163 (0.0154537% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 0.0005437511838653327 (0.000328411% change)
- large trace change predicted (0.0115138%)
- linmin: converged after 3 iterations.
- iteration 109: trace = 0.0005436886019079089 (0.01151% change)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005436852057075703 (0.000624661% change)
- large trace change predicted (0.00985811%)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005436315752388618 (0.00986474% change)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.000543628495833425 (0.000566452% change)
- large trace change predicted (0.0021314%)
- linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005436169071218295 (0.00213176% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005436159200508298 (0.000181575% change)
- large trace change predicted (0.00286192%)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005436003613031127 (0.00286213% change)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005435990227760568 (0.000246234% change)
- large trace change predicted (0.00070207%)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005435952063733042 (0.000702065% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.00054359330724436 (0.000349365% change)
- large trace change predicted (0.000866677%)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005435885960685875 (0.000866677% change)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005435874257154743 (0.000215301% change)
- large trace change predicted (0.00086939%)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005435826998302949 (0.000869392% change)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005435806841363679 (0.000370817% change)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005435794454339354 (0.000227879% change)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005435780840929216 (0.00025044% change)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005435754863682015 (0.000477895% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005435742830251136 (0.000221376% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005435740402262138 (4.46671e-05% change)
- large trace change predicted (0.000217248%)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005435728593587193 (0.000217242% change)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005435727903939494 (1.26873e-05% change)
- large trace change predicted (0.000125585%)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005435721077550639 (0.000125584% change)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005435720965418655 (2.06287e-06% change)
- large trace change predicted (1.96188e-05%)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005435719898996206 (1.96188e-05% change)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005435719754107222 (2.6655e-06% change)
- large trace change predicted (4.27192e-05%)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005435717432018639 (4.27191e-05% change)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005435717317225239 (2.11184e-06% change)
- large trace change predicted (2.06095e-05%)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005435716196955787 (2.06094e-05% change)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005435716102491798 (1.73784e-06% change)
- large trace change predicted (2.10141e-05%)
- linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005435714960225195 (2.10141e-05% change)
- linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005435714922125603 (7.00912e-07% change)
-Finished solving for bands 1 to 1 after 139 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
-elapsed time for k point: 0.6018378734588623
-total elapsed time for run: 0.6083376407623291
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.006388664245605469
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.0139627453234668 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327678895732443 (5.03648% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313363091101697 (1.0841% change)
- near maximum in trace
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143038892737028 (13.8678% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057238111550542 (7.79909% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.01011752134406265 (4.39693% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.009879432781964499 (2.38125% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.008851061111638534 (10.9807% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008522952955235046 (3.777% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.008335408564975862 (2.22494% change)
- large trace change predicted (6.08184%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007087003152221757 (16.1895% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.006854146058619612 (3.34057% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.006657474932032057 (2.91114% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.005882487151484895 (12.3603% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.005708413868474088 (3.00362% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.005376848409001793 (5.98209% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.004576121726576717 (16.0902% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.004438061818876427 (3.06317% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.004383166022229881 (1.24463% change)
- large trace change predicted (8.78014%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.003741707625373545 (15.79% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.003291730464789618 (12.7954% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.00323296361365317 (1.80137% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.003104832650725999 (4.04339% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.0028037328238545 (10.192% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.00272549979575612 (2.8298% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.00268877892825142 (1.35645% change)
- large trace change predicted (6.77346%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.002453217042843278 (9.16227% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.002048239457654706 (17.9932% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.001947146666235006 (5.06048% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.001921857262687753 (1.30728% change)
- large trace change predicted (3.48607%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.001848427637430311 (3.89518% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.001707910804241009 (7.90233% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.001660392701845439 (2.82149% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.001636012398390305 (1.47921% change)
- large trace change predicted (5.18152%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.001540609388307187 (6.00657% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001345179666361946 (13.5443% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.00126948431086243 (5.79006% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.001245954740020698 (1.87081% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.001204877460885485 (3.35211% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.001128884041191235 (6.51253% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.001095136827332115 (3.03479% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.001083916132125791 (1.02987% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.00106342611885985 (1.90841% change)
- large trace change predicted (5.48869%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.0009999651603088994 (6.15113% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009474780947119102 (5.39036% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.0009311870209203887 (1.73432% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009179318603988158 (1.43367% change)
- large trace change predicted (3.95373%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008800680621571141 (4.21177% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008282748494238419 (6.06356% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 0.0008098098649172428 (2.25446% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.0008037279075855603 (0.753866% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007947097632042897 (1.12837% change)
- large trace change predicted (2.65329%)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007730802281605836 (2.75924% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007567571125206468 (2.13397% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007514269868356672 (0.706827% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007468879959237339 (0.605879% change)
- large trace change predicted (1.79868%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007332382937661766 (1.8444% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.0007091847742736814 (3.33515% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 0.000697460119984083 (1.66704% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006926125255783699 (0.697459% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006853107693224471 (1.05982% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006710414599140188 (2.10407% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006622634864220272 (1.31672% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006597098242442245 (0.386341% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006578341892558789 (0.284717% change)
- large trace change predicted (0.792077%)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006525900725209967 (0.800369% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.0006423889616197569 (1.57549% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.0006367222354210428 (0.886041% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006343807372669772 (0.36842% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006336539383400986 (0.114634% change)
- large trace change predicted (0.602878%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006298361502094541 (0.604324% change)
- large trace change predicted (1.59666%)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006197950781763823 (1.60705% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006145237767948023 (0.854123% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0006094352906658932 (0.83148% change)
- large trace change predicted (3.28752%)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005894510814058584 (3.3338% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.0005738959982001474 (2.67419% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005734237191063654 (0.0823274% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005728368908955536 (0.10239% change)
- large trace change predicted (0.937866%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005674860400448248 (0.93848% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005634781462098142 (0.708757% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005628279215109654 (0.115461% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005624017587877296 (0.0757468% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005615784927448529 (0.146491% change)
- large trace change predicted (0.462977%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005590077500636137 (0.458821% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.0005587368022581278 (0.0484812% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.0005585444875679437 (0.0344255% change)
- large trace change predicted (0.09806%)
- linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005579974550806457 (0.0979869% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005574604311140524 (0.0962876% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.0005573550114431289 (0.0189125% change)
- linmin: converged after 2 iterations.
- iteration 90: trace = 0.000557236712140031 (0.0212274% change)
- large trace change predicted (0.173746%)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005562649121681097 (0.174548% change)
- linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005560155450830856 (0.0448389% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 0.0005558214414828518 (0.0349158% change)
- linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005556746092777762 (0.0264206% change)
- large trace change predicted (0.0768704%)
- linmin: converged after 3 iterations.
- iteration 95: trace = 0.0005552475305163842 (0.0768873% change)
- linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005549565391509682 (0.0524212% change)
- linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005545759625776974 (0.0686012% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005545580258742105 (0.00323436% change)
- large trace change predicted (0.0788885%)
- linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005541184642602463 (0.0792948% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005540827416426181 (0.00644696% change)
- large trace change predicted (0.0221441%)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005539598645880117 (0.0221791% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005539509641402986 (0.00160671% change)
- large trace change predicted (0.0194904%)
- linmin: converged after 2 iterations.
- iteration 103: trace = 0.0005538429307990059 (0.0195042% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 0.0005538212510814802 (0.00391449% change)
- large trace change predicted (0.00948118%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005537687493451267 (0.00948036% change)
- linmin: converged after 3 iterations.
- iteration 106: trace = 0.0005537545264295007 (0.00256842% change)
- large trace change predicted (0.0139068%)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.0005536775826948541 (0.0138959% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 0.0005536699714180234 (0.00137469% change)
- large trace change predicted (0.0109183%)
- linmin: converged after 3 iterations.
- iteration 109: trace = 0.000553609541971647 (0.0109149% change)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005536073766928733 (0.000391121% change)
- large trace change predicted (0.00997282%)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.0005535521304986146 (0.00997981% change)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005535500119164885 (0.000382726% change)
- large trace change predicted (0.00221526%)
- linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005535377473214456 (0.00221565% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005535371237615334 (0.00011265% change)
- large trace change predicted (0.00299101%)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005535205665764597 (0.00299121% change)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005535202706804172 (5.34571e-05% change)
- large trace change predicted (0.00100099%)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005535147301454523 (0.00100097% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005535144229078852 (5.55067e-05% change)
- large trace change predicted (0.00104748%)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.0005535086249694815 (0.00104748% change)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005535083269111417 (5.38489e-05% change)
- large trace change predicted (0.00126845%)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005535013059523242 (0.00126845% change)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005535011997657242 (1.91845e-05% change)
- large trace change predicted (0.000431366%)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005534988122002452 (0.000431358% change)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005534985693850205 (4.38692e-05% change)
- large trace change predicted (0.000714089%)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005534946171051055 (0.000714057% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005534945841831638 (5.94801e-06% change)
- large trace change predicted (0.000246508%)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005534932198247655 (0.000246499% change)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005534931321703183 (1.58366e-05% change)
- large trace change predicted (0.000135235%)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005534923836579644 (0.000135234% change)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005534923401820672 (7.85483e-06% change)
- large trace change predicted (2.09979e-05%)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005534922239600052 (2.0998e-05% change)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005534922081138453 (2.86294e-06% change)
- large trace change predicted (4.04808e-05%)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005534919840565648 (4.04807e-05% change)
- linmin: converged after 1 iterations.
- iteration 134: trace = 0.0005534919663682655 (3.19576e-06% change)
- large trace change predicted (2.36162e-05%)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.000553491835655066 (2.36161e-05% change)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005534918255761874 (1.82096e-06% change)
- large trace change predicted (2.26881e-05%)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005534916999995936 (2.26881e-05% change)
- linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005534916950358864 (8.96799e-07% change)
-Finished solving for bands 1 to 1 after 138 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822
-elapsed time for k point: 0.5978875160217285
-total elapsed time for run: 0.6043529510498047
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.006430149078369141
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.0139627177779028 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327684378988492 (5.03587% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313325505801901 (1.08738% change)
- near maximum in trace
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143107373086895 (13.859% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057169177201632 (7.81158% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.010114904085955 (4.41627% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.009876993404152084 (2.38007% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.008846068608214096 (11.0124% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008517042221208209 (3.78995% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.008326268739370752 (2.26527% change)
- large trace change predicted (6.09955%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007074915363883305 (16.2501% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.006842447679798472 (3.34069% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.006644462857791814 (2.93596% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.00586580890994385 (12.4482% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.005690964406082881 (3.02584% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.005359509169326547 (5.99893% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.004560608210157557 (16.1067% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.004423220918506502 (3.05855% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.004368098767732578 (1.25401% change)
- large trace change predicted (8.81704%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.003725892430815513 (15.8687% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.00327651752737873 (12.8349% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.003217890899318571 (1.80545% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.003089917728471123 (4.05761% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.002789089266760042 (10.234% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.002710905816117439 (2.84304% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.002674218653175258 (1.36254% change)
- large trace change predicted (6.80505%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.002438971014266685 (9.2016% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.002034189826749606 (18.0982% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.001933181583188529 (5.09195% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.001907998976213356 (1.31119% change)
- large trace change predicted (3.49571%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.001834919993059031 (3.90492% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.001694173476536888 (7.97636% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.001646416286631224 (2.85921% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.001622123538449003 (1.48646% change)
- large trace change predicted (5.19533%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.001527366074250917 (6.01732% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001331717884102342 (13.6861% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.001255606316196592 (5.88342% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.001232184805805558 (1.88292% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.00119170970936277 (3.33967% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.001116235433404988 (6.54039% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.001082435949686181 (3.07454% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.001071218450412442 (1.04172% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.001050833573731395 (1.92124% change)
- large trace change predicted (5.53279%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.0009876540752091424 (6.19866% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009353335329505629 (5.44159% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.000919090577299524 (1.75181% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009058436032755809 (1.45178% change)
- large trace change predicted (4.00783%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008679705371634375 (4.27024% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008163908945122433 (6.12453% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 0.0007981010811180984 (2.26571% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.0007920809420666169 (0.757164% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007831096983658118 (1.13907% change)
- large trace change predicted (2.68696%)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007615285021835698 (2.79434% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007452609271400371 (2.15924% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007399621295472298 (0.713536% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007354451060919515 (0.612309% change)
- large trace change predicted (1.82266%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007218268493622616 (1.86901% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.0006978564989352915 (3.37686% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 0.0006862159288845188 (1.68208% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006814087152251829 (0.703002% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006741507190742478 (1.07085% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006599995940329203 (2.12137% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006513439268575549 (1.32012% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006488237794719898 (0.387665% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006469461202007415 (0.289814% change)
- large trace change predicted (0.810595%)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006416681505737842 (0.81917% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.000631548477672626 (1.58962% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.000626013683501441 (0.880242% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006237063576469151 (0.369255% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006229823627496076 (0.116147% change)
- large trace change predicted (0.609708%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006191863134158947 (0.611197% change)
- large trace change predicted (1.7554%)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006083344731370278 (1.76809% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006039819544211068 (0.71805% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0005953481801312867 (1.43977% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005790998597499504 (2.76697% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.000563661539392587 (2.70193% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005632767885225202 (0.0682825% change)
- large trace change predicted (0.15294%)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005624159234860933 (0.152948% change)
- large trace change predicted (0.911925%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005573063060958973 (0.912658% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005534008786967546 (0.703233% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005527445947017196 (0.118661% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005523222164450316 (0.0764439% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005515161192021463 (0.146053% change)
- large trace change predicted (0.456202%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005490276986437733 (0.452217% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.000548697623166275 (0.0601381% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.000548547139736228 (0.0274293% change)
- large trace change predicted (0.104834%)
- linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005479727715651212 (0.104762% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005475046960744757 (0.085456% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.000547352646912068 (0.0277752% change)
- linmin: converged after 2 iterations.
- iteration 90: trace = 0.000547280029082484 (0.013268% change)
- large trace change predicted (0.180543%)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005462881158847613 (0.181409% change)
- linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005461207310603968 (0.0306451% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 0.00054585056983826 (0.0494814% change)
- linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005457798751030312 (0.0129521% change)
- large trace change predicted (0.0900923%)
- linmin: converged after 3 iterations.
- iteration 95: trace = 0.0005452882561753774 (0.090117% change)
- linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005451436125531656 (0.0265296% change)
- large trace change predicted (0.0932169%)
- linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005446353773016572 (0.0932731% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005446247544603002 (0.00195047% change)
- large trace change predicted (0.0828773%)
- linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005441711389648834 (0.0833242% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005441562713012351 (0.0027322% change)
- large trace change predicted (0.0234901%)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005440282539580679 (0.0235286% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005440227592689676 (0.00101001% change)
- large trace change predicted (0.0204397%)
- linmin: converged after 2 iterations.
- iteration 103: trace = 0.000543911490824616 (0.020455% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 0.0005439052442572321 (0.00114846% change)
- large trace change predicted (0.0118837%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005438406202166766 (0.0118822% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 0.0005438370058492498 (0.000664603% change)
- large trace change predicted (0.0154666%)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.0005437529696060809 (0.0154537% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 0.000543751183865938 (0.000328411% change)
- large trace change predicted (0.0115138%)
- linmin: converged after 3 iterations.
- iteration 109: trace = 0.0005436886019066618 (0.01151% change)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005436852057078605 (0.000624661% change)
- large trace change predicted (0.00985811%)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.000543631575240461 (0.00986474% change)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005436284958338527 (0.000566453% change)
- large trace change predicted (0.0021314%)
- linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005436169071216119 (0.00213176% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005436159200511586 (0.000181575% change)
- large trace change predicted (0.00286192%)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005436003613041888 (0.00286213% change)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005435990227764274 (0.000246234% change)
- large trace change predicted (0.000702071%)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005435952063726313 (0.000702065% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005435933072447329 (0.000349365% change)
- large trace change predicted (0.000866676%)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.000543588596069549 (0.000866677% change)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005435874257158588 (0.000215302% change)
- large trace change predicted (0.00086939%)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005435826998293033 (0.000869392% change)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005435806841367148 (0.000370817% change)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005435794454347649 (0.000227878% change)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005435780840932745 (0.000250441% change)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005435754863676812 (0.000477895% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005435742830254591 (0.000221376% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change)
- large trace change predicted (0.000217248%)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005435728593590635 (0.000217242% change)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change)
- large trace change predicted (0.000125585%)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005435721077554107 (0.000125584% change)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change)
- large trace change predicted (1.96188e-05%)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change)
- large trace change predicted (4.27192e-05%)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change)
- large trace change predicted (2.06095e-05%)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change)
- large trace change predicted (2.10141e-05%)
- linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change)
- linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change)
-Finished solving for bands 1 to 1 after 139 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
-elapsed time for k point: 0.6038353443145752
-total elapsed time for run: 0.6103439331054688
-done
-Initializing eigensolver data
-Computing 1 bands with 1e-08 tolerance
-Target frequency is 0.3493
-Working in 2 dimensions.
-Grid size is 80 x 80 x 1.
-Solving for 1 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (5, 0, 0)
- (0, 5, 0)
- (0, 0, 1)
-Cell volume = 25
-Reciprocal lattice vectors (/ 2 pi):
- (0.2, -0, 0)
- (-0, 0.2, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-1,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-1,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (-2,-2,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.0>
-elapsed time for initialization: 0.006308555603027344
-solve_kpoint (0.5,0.5,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1
-Solving for bands 1 to 1...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 0.0139627177779028 (199.998% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 0.01327684378988492 (5.03587% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.01313325505801901 (1.08738% change)
- near maximum in trace
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.01143107373086895 (13.859% change)
- linmin: converged after 8 iterations.
- iteration 5: trace = 0.01057169177201632 (7.81158% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 0.010114904085955 (4.41627% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 0.009876993404152084 (2.38007% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 0.008846068608214096 (11.0124% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 0.008517042221208209 (3.78995% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.008326268739370752 (2.26527% change)
- large trace change predicted (6.09955%)
- linmin: converged after 8 iterations.
- iteration 11: trace = 0.007074915363883305 (16.2501% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 0.006842447679798472 (3.34069% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 0.006644462857791814 (2.93596% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 0.00586580890994385 (12.4482% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 0.005690964406082881 (3.02584% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.005359509169326547 (5.99893% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 0.004560608210157557 (16.1067% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 0.004423220918506502 (3.05855% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 0.004368098767732578 (1.25401% change)
- large trace change predicted (8.81704%)
- linmin: converged after 6 iterations.
- iteration 20: trace = 0.003725892430815513 (15.8687% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 0.00327651752737873 (12.8349% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 0.003217890899318571 (1.80545% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 0.003089917728471123 (4.05761% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 0.002789089266760042 (10.234% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.002710905816117439 (2.84304% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 0.002674218653175258 (1.36254% change)
- large trace change predicted (6.80505%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 0.002438971014266685 (9.2016% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 0.002034189826749606 (18.0982% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 0.001933181583188529 (5.09195% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.001907998976213356 (1.31119% change)
- large trace change predicted (3.49571%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 0.001834919993059031 (3.90492% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 0.001694173476536888 (7.97636% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 0.001646416286631224 (2.85921% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.001622123538449003 (1.48646% change)
- large trace change predicted (5.19533%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 0.001527366074250917 (6.01732% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 0.001331717884102342 (13.6861% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 0.001255606316196592 (5.88342% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.001232184805805558 (1.88292% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.00119170970936277 (3.33967% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 0.001116235433404988 (6.54039% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 0.001082435949686181 (3.07454% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 0.001071218450412442 (1.04172% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 0.001050833573731395 (1.92124% change)
- large trace change predicted (5.53279%)
- linmin: converged after 4 iterations.
- iteration 44: trace = 0.0009876540752091424 (6.19866% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 0.0009353335329505629 (5.44159% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 0.000919090577299524 (1.75181% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 0.0009058436032755809 (1.45178% change)
- large trace change predicted (4.00783%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 0.0008679705371634375 (4.27024% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 0.0008163908945122433 (6.12453% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 0.0007981010811180984 (2.26571% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 0.0007920809420666169 (0.757164% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 0.0007831096983658118 (1.13907% change)
- large trace change predicted (2.68696%)
- linmin: converged after 3 iterations.
- iteration 53: trace = 0.0007615285021835698 (2.79434% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 0.0007452609271400371 (2.15924% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 0.0007399621295472298 (0.713536% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 0.0007354451060919515 (0.612309% change)
- large trace change predicted (1.82266%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 0.0007218268493622616 (1.86901% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 0.0006978564989352915 (3.37686% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 0.0006862159288845188 (1.68208% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 0.0006814087152251829 (0.703002% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 0.0006741507190742478 (1.07085% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 0.0006599995940329203 (2.12137% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 0.0006513439268575549 (1.32012% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 0.0006488237794719898 (0.387665% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 0.0006469461202007415 (0.289814% change)
- large trace change predicted (0.810595%)
- linmin: converged after 4 iterations.
- iteration 66: trace = 0.0006416681505737842 (0.81917% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 0.000631548477672626 (1.58962% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 0.000626013683501441 (0.880242% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 0.0006237063576469151 (0.369255% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 0.0006229823627496076 (0.116147% change)
- large trace change predicted (0.609708%)
- linmin: converged after 3 iterations.
- iteration 71: trace = 0.0006191863134158947 (0.611197% change)
- large trace change predicted (1.7554%)
- linmin: converged after 3 iterations.
- iteration 72: trace = 0.0006083344731370278 (1.76809% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 0.0006039819544211068 (0.71805% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 0.0005953481801312867 (1.43977% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 0.0005790998597499504 (2.76697% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 0.000563661539392587 (2.70193% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 0.0005632767885225202 (0.0682825% change)
- large trace change predicted (0.15294%)
- linmin: converged after 3 iterations.
- iteration 78: trace = 0.0005624159234860933 (0.152948% change)
- large trace change predicted (0.911925%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 0.0005573063060958973 (0.912658% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 0.0005534008786967546 (0.703233% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 0.0005527445947017196 (0.118661% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 0.0005523222164450316 (0.0764439% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 0.0005515161192021463 (0.146053% change)
- large trace change predicted (0.456202%)
- linmin: converged after 3 iterations.
- iteration 84: trace = 0.0005490276986437733 (0.452217% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 0.000548697623166275 (0.0601381% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 0.000548547139736228 (0.0274293% change)
- large trace change predicted (0.104834%)
- linmin: converged after 3 iterations.
- iteration 87: trace = 0.0005479727715651212 (0.104762% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 0.0005475046960744757 (0.085456% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 0.000547352646912068 (0.0277752% change)
- linmin: converged after 2 iterations.
- iteration 90: trace = 0.000547280029082484 (0.013268% change)
- large trace change predicted (0.180543%)
- linmin: converged after 4 iterations.
- iteration 91: trace = 0.0005462881158847613 (0.181409% change)
- linmin: converged after 2 iterations.
- iteration 92: trace = 0.0005461207310603968 (0.0306451% change)
- linmin: converged after 2 iterations.
- iteration 93: trace = 0.00054585056983826 (0.0494814% change)
- linmin: converged after 2 iterations.
- iteration 94: trace = 0.0005457798751030312 (0.0129521% change)
- large trace change predicted (0.0900923%)
- linmin: converged after 3 iterations.
- iteration 95: trace = 0.0005452882561753774 (0.090117% change)
- linmin: converged after 2 iterations.
- iteration 96: trace = 0.0005451436125531656 (0.0265296% change)
- large trace change predicted (0.0932169%)
- linmin: converged after 2 iterations.
- iteration 97: trace = 0.0005446353773016572 (0.0932731% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 0.0005446247544603002 (0.00195047% change)
- large trace change predicted (0.0828773%)
- linmin: converged after 3 iterations.
- iteration 99: trace = 0.0005441711389648834 (0.0833242% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 0.0005441562713012351 (0.0027322% change)
- large trace change predicted (0.0234901%)
- linmin: converged after 2 iterations.
- iteration 101: trace = 0.0005440282539580679 (0.0235286% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 0.0005440227592689676 (0.00101001% change)
- large trace change predicted (0.0204397%)
- linmin: converged after 2 iterations.
- iteration 103: trace = 0.000543911490824616 (0.020455% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 0.0005439052442572321 (0.00114846% change)
- large trace change predicted (0.0118837%)
- linmin: converged after 3 iterations.
- iteration 105: trace = 0.0005438406202166766 (0.0118822% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 0.0005438370058492498 (0.000664603% change)
- large trace change predicted (0.0154666%)
- linmin: converged after 3 iterations.
- iteration 107: trace = 0.0005437529696060809 (0.0154537% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 0.000543751183865938 (0.000328411% change)
- large trace change predicted (0.0115138%)
- linmin: converged after 3 iterations.
- iteration 109: trace = 0.0005436886019066618 (0.01151% change)
- linmin: converged after 2 iterations.
- iteration 110: trace = 0.0005436852057078605 (0.000624661% change)
- large trace change predicted (0.00985811%)
- linmin: converged after 2 iterations.
- iteration 111: trace = 0.000543631575240461 (0.00986474% change)
- linmin: converged after 2 iterations.
- iteration 112: trace = 0.0005436284958338527 (0.000566453% change)
- large trace change predicted (0.0021314%)
- linmin: converged after 2 iterations.
- iteration 113: trace = 0.0005436169071216119 (0.00213176% change)
- linmin: converged after 2 iterations.
- iteration 114: trace = 0.0005436159200511586 (0.000181575% change)
- large trace change predicted (0.00286192%)
- linmin: converged after 2 iterations.
- iteration 115: trace = 0.0005436003613041888 (0.00286213% change)
- linmin: converged after 2 iterations.
- iteration 116: trace = 0.0005435990227764274 (0.000246234% change)
- large trace change predicted (0.000702071%)
- linmin: converged after 2 iterations.
- iteration 117: trace = 0.0005435952063726313 (0.000702065% change)
- linmin: converged after 2 iterations.
- iteration 118: trace = 0.0005435933072447329 (0.000349365% change)
- large trace change predicted (0.000866676%)
- linmin: converged after 2 iterations.
- iteration 119: trace = 0.000543588596069549 (0.000866677% change)
- linmin: converged after 2 iterations.
- iteration 120: trace = 0.0005435874257158588 (0.000215302% change)
- large trace change predicted (0.00086939%)
- linmin: converged after 2 iterations.
- iteration 121: trace = 0.0005435826998293033 (0.000869392% change)
- linmin: converged after 2 iterations.
- iteration 122: trace = 0.0005435806841367148 (0.000370817% change)
- linmin: converged after 2 iterations.
- iteration 123: trace = 0.0005435794454347649 (0.000227878% change)
- linmin: converged after 2 iterations.
- iteration 124: trace = 0.0005435780840932745 (0.000250441% change)
- linmin: converged after 2 iterations.
- iteration 125: trace = 0.0005435754863676812 (0.000477895% change)
- linmin: converged after 2 iterations.
- iteration 126: trace = 0.0005435742830254591 (0.000221376% change)
- linmin: converged after 2 iterations.
- iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change)
- large trace change predicted (0.000217248%)
- linmin: converged after 2 iterations.
- iteration 128: trace = 0.0005435728593590635 (0.000217242% change)
- linmin: converged after 2 iterations.
- iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change)
- large trace change predicted (0.000125585%)
- linmin: converged after 2 iterations.
- iteration 130: trace = 0.0005435721077554107 (0.000125584% change)
- linmin: converged after 2 iterations.
- iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change)
- large trace change predicted (1.96188e-05%)
- linmin: converged after 2 iterations.
- iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change)
- linmin: converged after 2 iterations.
- iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change)
- large trace change predicted (4.27192e-05%)
- linmin: converged after 2 iterations.
- iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change)
- linmin: converged after 2 iterations.
- iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change)
- large trace change predicted (2.06095e-05%)
- linmin: converged after 2 iterations.
- iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change)
- linmin: converged after 2 iterations.
- iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change)
- large trace change predicted (2.10141e-05%)
- linmin: converged after 2 iterations.
- iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change)
- linmin: converged after 2 iterations.
- iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change)
-Finished solving for bands 1 to 1 after 139 iterations.
-tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159
-.elapsed time for k point: 0.6011390686035156
-total elapsed time for run: 0.60752272605896
-done
-/tmp/meepg15Lzl/test_point_defect_state-0: 42.83s
-
-/tmp/meepg15Lzl/test_poynting-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.001354217529296875
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14050984382629395
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.3943054676055908
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08617568016052246
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.07941436767578125
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09246277809143066
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14321637153625488
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.10837697982788086
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09245848655700684
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.07908272743225098
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07596874237060547
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-/build/reproducible-path/meep-1.29.0/python/meep/mpb/solver.py:366: DeprecationWarning: __array__ implementation doesn't accept a copy keyword, so passing copy=False failed. __array__ must implement 'dtype' and 'copy' keyword arguments. To learn more, see the migration guide https://numpy.org/devdocs/numpy_2_0_migration_guide.html#adapting-to-changes-in-the-copy-keyword
- res[i] = np.array(ExH(e[i], h[i]))
-elapsed time for k point: 0.07602143287658691
-Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b01.te.h5...
-Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b02.te.h5...
-Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b03.te.h5...
-Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b04.te.h5...
-Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b05.te.h5...
-Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b06.te.h5...
-Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b07.te.h5...
-Outputting fields to /tmp/meepg15Lzl/test_poynting-0-flux.v.k11.b08.te.h5...
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.060296058654785156
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.06996655464172363
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09542655944824219
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11145710945129395
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-..elapsed time for k point: 0.24767017364501953
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 2.0745551586151123
-done
-/tmp/meepg15Lzl/test_poynting-0: 2.08s
-
-/tmp/meepg15Lzl/test_resolution-0
-========================
-/tmp/meepg15Lzl/test_resolution-0: 0.00s
-
-/tmp/meepg15Lzl/test_run_te-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.001346588134765625
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.13981318473815918
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.39073634147644043
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08621716499328613
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.07973003387451172
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09316563606262207
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.144852876663208
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.10958528518676758
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09290170669555664
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.07996320724487305
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.0767369270324707
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07635927200317383
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.0603642463684082
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07020354270935059
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09558343887329102
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11179947853088379
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-.elapsed time for k point: 0.24763822555541992
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 1.9581842422485352
-done
-/tmp/meepg15Lzl/test_run_te-0: 1.96s
-
-/tmp/meepg15Lzl/test_run_te_no_geometry-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-07 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
-Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0010101795196533203
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 1: trace = 28.19057071787513 (190.727% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 10.91238426133213 (88.3728% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 10.06024105139971 (8.12624% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 10.00201229636663 (0.580481% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 10.00007845652677 (0.0193364% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 10.00000129987289 (0.000771563% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 10.00000004221536 (1.25766e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 10.00000000175005 (4.04653e-07% change)
-Finished solving for bands 2 to 8 after 8 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421
-elapsed time for k point: 0.023204326629638672
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- near maximum in trace
- linmin: converged after 5 iterations.
- iteration 1: trace = 9.880000133291681 (2.3702% change)
- linmin: converged after 2 iterations.
- iteration 2: trace = 9.880000004055377 (1.30806e-06% change)
-Finished solving for bands 1 to 8 after 2 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661
-elapsed time for k point: 0.008743047714233398
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 9.920000000339346 (3.76491e-08% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205
-elapsed time for k point: 0.005491733551025391
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 10.12000000005403 (2.56717e-09% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012
-elapsed time for k point: 0.005469799041748047
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 10.48000000000711 (3.43813e-10% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047
-elapsed time for k point: 0.005448341369628906
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 10.99999999989867 (8.97997e-10% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278
-elapsed time for k point: 0.005449771881103516
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- near maximum in trace
- linmin: converged after 7 iterations.
- iteration 1: trace = 10.88000039707305 (2.97958% change)
- linmin: converged after 2 iterations.
- iteration 2: trace = 10.87999995545266 (4.05901e-06% change)
-Finished solving for bands 1 to 8 after 2 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929
-elapsed time for k point: 0.008708000183105469
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- near maximum in trace
- linmin: converged after 9 iterations.
- iteration 1: trace = 10.72763995153733 (1.77719% change)
- linmin: converged after 2 iterations.
- iteration 2: trace = 10.72763986624717 (7.95051e-07% change)
-Finished solving for bands 1 to 8 after 2 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611
-elapsed time for k point: 0.008767127990722656
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 10.85836182238218 (1.70315% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 10.75311149811511 (0.974023% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 10.72171121561062 (0.292438% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 10.72014292833308 (0.0146283% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 10.72002114849349 (0.001136% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 10.72000263415471 (0.000172708% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 10.72000060484828 (1.89301e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 10.7200001769306 (3.99177e-06% change)
-Finished solving for bands 1 to 8 after 8 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971
-elapsed time for k point: 0.027947664260864258
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 11.28000006011032 (3.51788e-07% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242
-elapsed time for k point: 0.005488395690917969
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 12.00000000012884 (4.02124e-08% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114
-elapsed time for k point: 0.005488157272338867
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 11.04529896859918 (2.80917% change)
- linmin: converged after 2 iterations.
- iteration 2: trace = 11.04529779144371 (1.06575e-05% change)
- linmin: converged after 2 iterations.
- iteration 3: trace = 11.04529660614459 (1.07313e-05% change)
- linmin: converged after 2 iterations.
- iteration 4: trace = 11.04529541260548 (1.08059e-05% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 11.04529421072844 (1.08813e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 11.04529300041396 (1.09577e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 11.04529178156084 (1.1035e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 11.04529055406609 (1.11133e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 11.04528931782503 (1.11925e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 11.04528807273116 (1.12726e-05% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 11.04528681867615 (1.13538e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 11.04528555554979 (1.14359e-05% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 11.04528428324 (1.1519e-05% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 11.04528300163266 (1.16032e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 11.04528171061168 (1.16884e-05% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 11.04528041005893 (1.17747e-05% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 11.04527909985421 (1.18621e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 11.04527777987509 (1.19506e-05% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 11.04527644999708 (1.20402e-05% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 11.04527511009332 (1.2131e-05% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 11.04527376003476 (1.2223e-05% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 11.04527239968992 (1.23161e-05% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 11.04527102892502 (1.24104e-05% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 11.04526964760372 (1.2506e-05% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 11.04526825558725 (1.26028e-05% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 11.04526685273423 (1.27009e-05% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 11.04526543890069 (1.28004e-05% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 11.04526401393993 (1.29011e-05% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 11.04526257770253 (1.30032e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 11.04526113003624 (1.31067e-05% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 11.04525967078593 (1.32116e-05% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 11.04525819979352 (1.33179e-05% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 11.04525671689793 (1.34256e-05% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 11.04525522193496 (1.35349e-05% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 11.04525371473728 (1.36457e-05% change)
- linmin: converged after 2 iterations.
- iteration 36: trace = 11.04525219513427 (1.3758e-05% change)
- linmin: converged after 2 iterations.
- iteration 37: trace = 11.04525066295204 (1.38719e-05% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 11.04524911801332 (1.39874e-05% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 11.04524756013732 (1.41045e-05% change)
- linmin: converged after 2 iterations.
- iteration 40: trace = 11.04524598913968 (1.42233e-05% change)
- linmin: converged after 2 iterations.
- iteration 41: trace = 11.04524440483243 (1.43438e-05% change)
- linmin: converged after 2 iterations.
- iteration 42: trace = 11.04524280702389 (1.4466e-05% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 11.04524119551851 (1.459e-05% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 11.0452395701165 (1.47159e-05% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 11.04523793061477 (1.48435e-05% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 11.0452362768057 (1.49731e-05% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 11.04523460847756 (1.51045e-05% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 11.0452329254143 (1.52379e-05% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 11.04523122739539 (1.53733e-05% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 11.04522951419586 (1.55108e-05% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 11.04522778558607 (1.56503e-05% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 11.04522604133166 (1.57919e-05% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 11.04522428119343 (1.59357e-05% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 11.04522250492716 (1.60818e-05% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 11.04522071228361 (1.623e-05% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 11.04521890300823 (1.63806e-05% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 11.04521707684125 (1.65336e-05% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 11.04521523351733 (1.66889e-05% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 11.04521337276557 (1.68467e-05% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 11.04521149430935 (1.7007e-05% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 11.04520959786615 (1.71698e-05% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 11.04520768314745 (1.73353e-05% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 11.0452057498586 (1.75034e-05% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 11.04520379769866 (1.76743e-05% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 11.04520182636015 (1.78479e-05% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 11.04519983552916 (1.80244e-05% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 11.04519782488486 (1.82038e-05% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 11.04519579409965 (1.83861e-05% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 11.04519374283882 (1.85715e-05% change)
- resetting CG direction...
- large trace change predicted (0.52935%)
- linmin: converged after 4 iterations.
- iteration 70: trace = 10.98570566235606 (0.540042% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 10.96854022981744 (0.156375% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 10.96130326736854 (0.066001% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 10.96015412894814 (0.0104841% change)
- linmin: converged after 2 iterations.
- iteration 74: trace = 10.96003366816295 (0.00109909% change)
- linmin: converged after 2 iterations.
- iteration 75: trace = 10.96000289704679 (0.000280758% change)
- linmin: converged after 2 iterations.
- iteration 76: trace = 10.96000031343341 (2.35731e-05% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 10.96000007994673 (2.13035e-06% change)
-Finished solving for bands 1 to 8 after 77 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315
-elapsed time for k point: 0.24947166442871094
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 10.24000001500887 (1.09258e-06% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648
-elapsed time for k point: 0.00547027587890625
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 9.840000001756971 (1.78163e-07% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222
-elapsed time for k point: 0.0055065155029296875
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 9.760000000165837 (2.02392e-08% change)
-Finished solving for bands 1 to 8 after 1 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127
-elapsed time for k point: 0.005487203598022461
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 1 iterations.
- iteration 1: trace = 10.00000000001522 (1.76508e-09% change)
-Finished solving for bands 2 to 8 after 1 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421
-.elapsed time for k point: 0.004567146301269531
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.5000000000350691 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464644 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.7071067811884213 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555262 at Vector3<0.5, 0.0, 0.0>
-Band 4 range: 0.7071067811901179 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266777 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
-Band 5 range: 1.0000000000010276 at Vector3<0.0, 0.0, 0.0> to 1.5811388300846385 at Vector3<0.5, 0.5, 0.0>
-Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085848 at Vector3<0.5, 0.5, 0.0>
-Band 7 range: 1.2806248475164035 at Vector3<0.2, 0.0, 0.0> to 1.581138830089242 at Vector3<0.5, 0.5, 0.0>
-Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.802775637652445 at Vector3<0.5, 0.0, 0.0>
-total elapsed time for run: 0.38283371925354004
-done
-/tmp/meepg15Lzl/test_run_te_no_geometry-0: 0.38s
-
-/tmp/meepg15Lzl/test_run_te_with_mu_material-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Initializing mu function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0019328594207763672
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 11 iterations.
- iteration 1: trace = 37.07995427807216 (187.597% change)
- linmin: converged after 10 iterations.
- iteration 2: trace = 15.08208968479109 (84.3443% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 12.99875116715977 (14.8381% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 11.69137614546987 (10.5903% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 10.73396991772583 (8.53861% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 10.10267619616788 (6.05946% change)
- linmin: converged after 7 iterations.
- iteration 7: trace = 9.256976067648564 (8.73673% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 8.850990945429702 (4.48405% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 8.599260233942143 (2.88512% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 8.316373997538543 (3.34467% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 8.106938042095054 (2.55047% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 7.905014359807277 (2.52216% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 7.66004402676575 (3.1477% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 7.496221791814361 (2.16178% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 7.355401169824328 (1.89637% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 7.25138037927162 (1.42428% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 7.18127962592026 (0.971418% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 7.129535994668335 (0.72314% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 7.092299379694719 (0.523654% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 7.062880914156482 (0.415657% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 7.04200912493808 (0.295951% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 7.01524989339069 (0.380718% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.993639025788045 (0.308531% change)
- linmin: converged after 8 iterations.
- iteration 24: trace = 6.975094420246651 (0.265516% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 6.96129066819734 (0.198097% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.952090594751325 (0.132248% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.944594434093401 (0.107884% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.939427076292032 (0.074436% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 6.935335630125506 (0.0589768% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 6.931440743641201 (0.0561758% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.927493558556012 (0.0569623% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 6.924575579446426 (0.0421306% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 6.921956091676289 (0.037836% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.919902275915221 (0.0296754% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.918509942049907 (0.0201227% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 6.917294696916199 (0.0175667% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 6.916553713254161 (0.0107126% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 6.91592195252564 (0.00913446% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 6.915298971377789 (0.00900833% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 6.91474447112174 (0.00801878% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 6.914095943233724 (0.00937935% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 6.913507656487692 (0.00850887% change)
- linmin: converged after 8 iterations.
- iteration 43: trace = 6.913069239480913 (0.00634166% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 6.912734881381486 (0.00483673% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 6.912459643390853 (0.00398169% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 6.912146917653812 (0.00452419% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 6.911807830853411 (0.00490579% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 6.911408698906524 (0.00577481% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 6.910951335392645 (0.00661773% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 6.910392908113636 (0.00808065% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 6.909889294482325 (0.00728804% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 6.909402304349431 (0.00704798% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 6.908895116671033 (0.00734081% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.908191912501293 (0.0101788% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 6.90710883112386 (0.0156794% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 6.906076217406182 (0.0149511% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 6.904928772548434 (0.0166164% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 6.903780583710775 (0.0166299% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 6.902624626379937 (0.0167452% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 6.900943191340757 (0.0243623% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 6.899190661670234 (0.0253987% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 6.897351294441989 (0.0266642% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 6.895376358666823 (0.0286373% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 6.893892251740695 (0.0215255% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 6.892335263920407 (0.0225876% change)
- linmin: converged after 7 iterations.
- iteration 66: trace = 6.890751058062829 (0.0229877% change)
- linmin: converged after 9 iterations.
- iteration 67: trace = 6.889435731369418 (0.0190901% change)
- linmin: converged after 7 iterations.
- iteration 68: trace = 6.888124775453085 (0.0190303% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 6.886910014225027 (0.0176371% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 6.884767233747802 (0.0311187% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 6.882633388107598 (0.0309985% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 6.881095113147398 (0.0223526% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 6.879946597465866 (0.0166923% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 6.879316461763979 (0.00915944% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 6.878537080938592 (0.01133% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 6.877914173461376 (0.00905622% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 6.876925949192698 (0.0143691% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 6.875996382391897 (0.0135181% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 6.874606999429915 (0.0202083% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 6.87371438074915 (0.0129851% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 6.872576207635754 (0.0165597% change)
- linmin: converged after 7 iterations.
- iteration 82: trace = 6.870977202633987 (0.0232692% change)
- linmin: converged after 5 iterations.
- iteration 83: trace = 6.868687858317934 (0.0333246% change)
- linmin: converged after 4 iterations.
- iteration 84: trace = 6.867477619854848 (0.0176212% change)
- linmin: converged after 4 iterations.
- iteration 85: trace = 6.866565169788672 (0.0132874% change)
- linmin: converged after 5 iterations.
- iteration 86: trace = 6.865179368844953 (0.0201839% change)
- linmin: converged after 4 iterations.
- iteration 87: trace = 6.862623639477074 (0.0372344% change)
- linmin: converged after 9 iterations.
- iteration 88: trace = 6.861124924024436 (0.0218412% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 6.86020411011665 (0.0134216% change)
- linmin: converged after 4 iterations.
- iteration 90: trace = 6.858995938766675 (0.0176129% change)
- linmin: converged after 8 iterations.
- iteration 91: trace = 6.858118224149518 (0.0127974% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 6.857128033363196 (0.0144393% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 6.856378784887522 (0.0109272% change)
- linmin: converged after 3 iterations.
- iteration 94: trace = 6.855983889140656 (0.0057597% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 6.855775833331903 (0.00303471% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 6.855523309343187 (0.00368344% change)
- linmin: converged after 3 iterations.
- iteration 97: trace = 6.855274952752101 (0.00362279% change)
- linmin: converged after 3 iterations.
- iteration 98: trace = 6.855160805125712 (0.00166512% change)
- linmin: converged after 4 iterations.
- iteration 99: trace = 6.855076132484433 (0.00123517% change)
- linmin: converged after 4 iterations.
- iteration 100: trace = 6.854953019016813 (0.00179596% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 6.854818094129846 (0.0019683% change)
- linmin: converged after 4 iterations.
- iteration 102: trace = 6.854758809724524 (0.000864861% change)
- linmin: converged after 4 iterations.
- iteration 103: trace = 6.854718951325869 (0.000581472% change)
- linmin: converged after 4 iterations.
- iteration 104: trace = 6.854683880320641 (0.000511634% change)
- linmin: converged after 4 iterations.
- iteration 105: trace = 6.854645200256241 (0.000564288% change)
- linmin: converged after 5 iterations.
- iteration 106: trace = 6.854612594542651 (0.000475674% change)
- linmin: converged after 4 iterations.
- iteration 107: trace = 6.854584016419467 (0.000416919% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 6.854554271133996 (0.000433948% change)
- linmin: converged after 3 iterations.
- iteration 109: trace = 6.854529730460362 (0.000358021% change)
- linmin: converged after 3 iterations.
- iteration 110: trace = 6.854510325957323 (0.000283091% change)
- linmin: converged after 3 iterations.
- iteration 111: trace = 6.85448944087829 (0.000304692% change)
- linmin: converged after 3 iterations.
- iteration 112: trace = 6.854472899994951 (0.000241315% change)
- linmin: converged after 4 iterations.
- iteration 113: trace = 6.854456195685512 (0.0002437% change)
- linmin: converged after 6 iterations.
- iteration 114: trace = 6.854435502377167 (0.000301896% change)
- linmin: converged after 4 iterations.
- iteration 115: trace = 6.854411317435466 (0.000352837% change)
- linmin: converged after 5 iterations.
- iteration 116: trace = 6.854399035692262 (0.00017918% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 6.85439110503745 (0.000115702% change)
- large trace change predicted (0.00026524%)
- linmin: converged after 4 iterations.
- iteration 118: trace = 6.854372905590728 (0.000265516% change)
- linmin: converged after 3 iterations.
- iteration 119: trace = 6.854352891527244 (0.00029199% change)
- linmin: converged after 4 iterations.
- iteration 120: trace = 6.85434355890188 (0.000136156% change)
- linmin: converged after 4 iterations.
- iteration 121: trace = 6.854338050697774 (8.03608e-05% change)
- linmin: converged after 4 iterations.
- iteration 122: trace = 6.854333109605347 (7.20871e-05% change)
- linmin: converged after 9 iterations.
- iteration 123: trace = 6.854329720339158 (4.94471e-05% change)
- linmin: converged after 5 iterations.
- iteration 124: trace = 6.854326963725112 (4.02171e-05% change)
- linmin: converged after 11 iterations.
- iteration 125: trace = 6.854323815940363 (4.59241e-05% change)
- linmin: converged after 4 iterations.
- iteration 126: trace = 6.85432065377065 (4.6134e-05% change)
- linmin: converged after 5 iterations.
- iteration 127: trace = 6.854318503229075 (3.1375e-05% change)
- linmin: converged after 3 iterations.
- iteration 128: trace = 6.85431648171146 (2.94926e-05% change)
- linmin: converged after 4 iterations.
- iteration 129: trace = 6.85431496842183 (2.20779e-05% change)
- linmin: converged after 4 iterations.
- iteration 130: trace = 6.854314299958991 (9.75244e-06% change)
- linmin: converged after 4 iterations.
- iteration 131: trace = 6.854313678981406 (9.05966e-06% change)
- linmin: converged after 8 iterations.
- iteration 132: trace = 6.854312884200549 (1.15953e-05% change)
- linmin: converged after 14 iterations.
- iteration 133: trace = 6.854311865489204 (1.48623e-05% change)
- linmin: converged after 9 iterations.
- iteration 134: trace = 6.8543112985851 (8.27077e-06% change)
- linmin: converged after 6 iterations.
- iteration 135: trace = 6.85431082436196 (6.91861e-06% change)
- linmin: converged after 19 iterations.
- iteration 136: trace = 6.85431016755307 (9.58242e-06% change)
- linmin: converged after 4 iterations.
- iteration 137: trace = 6.854309289832013 (1.28054e-05% change)
- linmin: converged after 7 iterations.
- iteration 138: trace = 6.854308657163957 (9.23022e-06% change)
- linmin: converged after 7 iterations.
- iteration 139: trace = 6.854307924048323 (1.06957e-05% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 140: trace = 6.854307417903981 (7.38432e-06% change)
- linmin: converged after 4 iterations.
- iteration 141: trace = 6.854306969909167 (6.53596e-06% change)
- linmin: converged after 10 iterations.
- iteration 142: trace = 6.854306474593885 (7.22634e-06% change)
- linmin: converged after 5 iterations.
- iteration 143: trace = 6.854306058607152 (6.06898e-06% change)
- linmin: converged after 3 iterations.
- iteration 144: trace = 6.854305757073451 (4.39919e-06% change)
- linmin: converged after 9 iterations.
- iteration 145: trace = 6.854305444818706 (4.5556e-06% change)
- linmin: converged after 4 iterations.
- iteration 146: trace = 6.854304890203396 (8.09149e-06% change)
- linmin: converged after 4 iterations.
- iteration 147: trace = 6.854304491534048 (5.81634e-06% change)
- linmin: converged after 8 iterations.
- iteration 148: trace = 6.854304291620394 (2.91661e-06% change)
- linmin: converged after 4 iterations.
- iteration 149: trace = 6.854304060869168 (3.36652e-06% change)
- linmin: converged after 7 iterations.
- iteration 150: trace = 6.854303700869671 (5.25217e-06% change)
- linmin: converged after 4 iterations.
- iteration 151: trace = 6.854303402069196 (4.35931e-06% change)
- linmin: converged after 7 iterations.
- iteration 152: trace = 6.854303138078888 (3.85145e-06% change)
- linmin: converged after 4 iterations.
- iteration 153: trace = 6.854302877278233 (3.80492e-06% change)
- linmin: converged after 6 iterations.
- iteration 154: trace = 6.85430263973824 (3.46556e-06% change)
- linmin: converged after 8 iterations.
- iteration 155: trace = 6.854302422483039 (3.16962e-06% change)
- linmin: converged after 4 iterations.
- iteration 156: trace = 6.854302260254244 (2.36682e-06% change)
- linmin: converged after 6 iterations.
- iteration 157: trace = 6.8543020229519 (3.46209e-06% change)
- linmin: converged after 8 iterations.
- iteration 158: trace = 6.854301803061127 (3.20807e-06% change)
- linmin: converged after 5 iterations.
- iteration 159: trace = 6.85430155803313 (3.57481e-06% change)
- linmin: converged after 4 iterations.
- iteration 160: trace = 6.85430140416215 (2.24488e-06% change)
- linmin: converged after 5 iterations.
- iteration 161: trace = 6.854301308348163 (1.39787e-06% change)
- linmin: converged after 7 iterations.
- iteration 162: trace = 6.854301245799444 (9.12547e-07% change)
- linmin: converged after 5 iterations.
- iteration 163: trace = 6.854301157825049 (1.28349e-06% change)
- linmin: converged after 5 iterations.
- iteration 164: trace = 6.854301069005924 (1.29582e-06% change)
- linmin: converged after 5 iterations.
- iteration 165: trace = 6.854301009952136 (8.61558e-07% change)
- linmin: converged after 5 iterations.
- iteration 166: trace = 6.854300969705365 (5.87175e-07% change)
- linmin: converged after 4 iterations.
- iteration 167: trace = 6.854300948076833 (3.15547e-07% change)
- linmin: converged after 13 iterations.
- iteration 168: trace = 6.854300932065348 (2.33598e-07% change)
- linmin: converged after 4 iterations.
- iteration 169: trace = 6.854300911070707 (3.06299e-07% change)
- linmin: converged after 4 iterations.
- iteration 170: trace = 6.85430089188397 (2.79923e-07% change)
- linmin: converged after 10 iterations.
- iteration 171: trace = 6.854300881295973 (1.54472e-07% change)
- linmin: converged after 4 iterations.
- iteration 172: trace = 6.85430087306035 (1.20153e-07% change)
- linmin: converged after 11 iterations.
- iteration 173: trace = 6.854300860996102 (1.7601e-07% change)
- linmin: converged after 4 iterations.
- iteration 174: trace = 6.854300852081534 (1.30058e-07% change)
- linmin: converged after 4 iterations.
- iteration 175: trace = 6.85430084275424 (1.36079e-07% change)
- linmin: converged after 6 iterations.
- iteration 176: trace = 6.854300830272249 (1.82105e-07% change)
- linmin: converged after 5 iterations.
- iteration 177: trace = 6.854300822603414 (1.11884e-07% change)
- linmin: converged after 4 iterations.
- iteration 178: trace = 6.854300817983078 (6.74078e-08% change)
- linmin: converged after 4 iterations.
- iteration 179: trace = 6.854300813562575 (6.44924e-08% change)
- linmin: converged after 27 iterations.
- iteration 180: trace = 6.85430080825131 (7.74881e-08% change)
- linmin: converged after 4 iterations.
- iteration 181: trace = 6.854300801798455 (9.41431e-08% change)
- linmin: converged after 5 iterations.
- iteration 182: trace = 6.854300795434934 (9.28398e-08% change)
- linmin: converged after 8 iterations.
- iteration 183: trace = 6.854300791298354 (6.03501e-08% change)
- linmin: converged after 6 iterations.
- iteration 184: trace = 6.854300788124082 (4.63107e-08% change)
- linmin: converged after 4 iterations.
- iteration 185: trace = 6.854300785155017 (4.33168e-08% change)
- linmin: converged after 5 iterations.
- iteration 186: trace = 6.854300781057044 (5.97869e-08% change)
- linmin: converged after 4 iterations.
- iteration 187: trace = 6.854300778450468 (3.80283e-08% change)
- linmin: converged after 4 iterations.
- iteration 188: trace = 6.854300776974714 (2.15303e-08% change)
- linmin: converged after 7 iterations.
- iteration 189: trace = 6.854300775732911 (1.81171e-08% change)
- linmin: converged after 21 iterations.
- iteration 190: trace = 6.854300774376568 (1.97882e-08% change)
- linmin: converged after 4 iterations.
- iteration 191: trace = 6.854300773192704 (1.72719e-08% change)
- linmin: converged after 5 iterations.
- iteration 192: trace = 6.854300772718631 (6.91643e-09% change)
- linmin: converged after 4 iterations.
- iteration 193: trace = 6.854300772373036 (5.04201e-09% change)
- linmin: converged after 4 iterations.
- iteration 194: trace = 6.854300771833355 (7.87361e-09% change)
- linmin: converged after 21 iterations.
- iteration 195: trace = 6.854300771437645 (5.77317e-09% change)
- linmin: converged after 15 iterations.
- iteration 196: trace = 6.854300771260495 (2.58451e-09% change)
- linmin: converged after 4 iterations.
- iteration 197: trace = 6.854300771187706 (1.06194e-09% change)
- linmin: converged after 12 iterations.
- iteration 198: trace = 6.854300771138262 (7.21357e-10% change)
- linmin: converged after 4 iterations.
- iteration 199: trace = 6.854300771070114 (9.94239e-10% change)
- linmin: converged after 9 iterations.
- iteration 200: trace = 6.85430077100915 (8.89422e-10% change)
- linmin: converged after 3 iterations.
- iteration 201: trace = 6.854300770986218 (3.34562e-10% change)
- linmin: converged after 2 iterations.
- iteration 202: trace = 6.854300770974715 (1.67819e-10% change)
- linmin: converged after 3 iterations.
- iteration 203: trace = 6.854300770964711 (1.45959e-10% change)
- linmin: converged after 5 iterations.
- iteration 204: trace = 6.85430077095844 (9.14962e-11% change)
-Finished solving for bands 2 to 8 after 204 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597
-elapsed time for k point: 1.0389411449432373
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 7.007537457446258 (11.2703% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 7.003247355935917 (0.06124% change)
- large trace change predicted (0.442958%)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.97513932471041 (0.402164% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 6.971270251122395 (0.0554849% change)
- large trace change predicted (0.226623%)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.95626746859895 (0.215441% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 6.933392870171838 (0.329376% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 6.931992239405091 (0.0202033% change)
- large trace change predicted (0.205291%)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.917331484602 (0.211718% change)
- linmin: converged after 9 iterations.
- iteration 9: trace = 6.902037331758033 (0.221344% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.900816451921457 (0.0176903% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 6.89872058529172 (0.0303759% change)
- large trace change predicted (0.158392%)
- linmin: converged after 6 iterations.
- iteration 12: trace = 6.88813042232098 (0.153627% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.885392679745547 (0.0397537% change)
- linmin: converged after 11 iterations.
- iteration 14: trace = 6.881023949808716 (0.0634694% change)
- large trace change predicted (0.551569%)
- linmin: converged after 6 iterations.
- iteration 15: trace = 6.85122300444239 (0.434029% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 6.848570426617911 (0.0387243% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.846532554158202 (0.0297606% change)
- large trace change predicted (0.118504%)
- linmin: converged after 6 iterations.
- iteration 18: trace = 6.838958717757984 (0.110684% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.838261210950048 (0.0101995% change)
- large trace change predicted (0.0363602%)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.835756740072389 (0.0366311% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 6.831548373033576 (0.061583% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.831144949422955 (0.00590548% change)
- large trace change predicted (0.0574298%)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.827114355778042 (0.0590206% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 6.823314259527984 (0.0556773% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 6.822904154140413 (0.00601054% change)
- large trace change predicted (0.0472521%)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.819507863331362 (0.0497902% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.818042501412231 (0.0214901% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.817386915346895 (0.00961592% change)
- large trace change predicted (0.0746117%)
- linmin: converged after 10 iterations.
- iteration 29: trace = 6.811801994343884 (0.0819553% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 6.811011821202275 (0.0116007% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.809751574221748 (0.0185048% change)
- large trace change predicted (0.0614976%)
- linmin: converged after 4 iterations.
- iteration 32: trace = 6.805453233659726 (0.0631403% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 6.805025660305189 (0.006283% change)
- large trace change predicted (0.0298744%)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.80296458043872 (0.0302922% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.800346857992223 (0.0384865% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 6.800157595674935 (0.00278317% change)
- large trace change predicted (0.0152532%)
- linmin: converged after 4 iterations.
- iteration 37: trace = 6.799129608070678 (0.0151183% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 6.797753758086779 (0.0202377% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 6.797626620366234 (0.00187031% change)
- large trace change predicted (0.0096437%)
- linmin: converged after 4 iterations.
- iteration 40: trace = 6.796985860133845 (0.00942668% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 6.796346977919242 (0.00939993% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 6.796284310238764 (0.000922083% change)
- large trace change predicted (0.00629687%)
- linmin: converged after 4 iterations.
- iteration 43: trace = 6.79586753547404 (0.00613258% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 6.795406399081847 (0.00678577% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 6.795367590543146 (0.000571101% change)
- large trace change predicted (0.00284231%)
- linmin: converged after 4 iterations.
- iteration 46: trace = 6.795177122079922 (0.00280296% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.794940920007555 (0.00347609% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 6.794907137572094 (0.000497172% change)
- large trace change predicted (0.00433785%)
- linmin: converged after 4 iterations.
- iteration 49: trace = 6.794615934362422 (0.0042857% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 6.794255735051849 (0.00530139% change)
- linmin: converged after 5 iterations.
- iteration 51: trace = 6.794217401763936 (0.000564203% change)
- large trace change predicted (0.00335306%)
- linmin: converged after 4 iterations.
- iteration 52: trace = 6.793991213313937 (0.00332919% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 6.793728117339382 (0.00387256% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.793694259081174 (0.000498376% change)
- large trace change predicted (0.00365899%)
- linmin: converged after 4 iterations.
- iteration 55: trace = 6.793446263052462 (0.00365045% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 6.793196853596192 (0.00367139% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 6.793167323895753 (0.000434696% change)
- large trace change predicted (0.00302394%)
- linmin: converged after 10 iterations.
- iteration 58: trace = 6.792962143072923 (0.00302045% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 6.792775384990048 (0.00274933% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 6.792756987326691 (0.000270842% change)
- large trace change predicted (0.00165713%)
- linmin: converged after 4 iterations.
- iteration 61: trace = 6.792644650610223 (0.00165379% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 6.792550297390947 (0.00138906% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 6.792537664820014 (0.000185977% change)
- large trace change predicted (0.00160153%)
- linmin: converged after 4 iterations.
- iteration 64: trace = 6.792429262685819 (0.00159591% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 6.792340578232512 (0.00130565% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 6.792331552017195 (0.000132888% change)
- large trace change predicted (0.000841299%)
- linmin: converged after 4 iterations.
- iteration 67: trace = 6.792274567195951 (0.000838962% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 6.792237439770127 (0.000546614% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 6.79223260978665 (7.11104e-05% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 70: trace = 6.792228297655388 (6.34862e-05% change)
- large trace change predicted (0.00110166%)
- linmin: converged after 4 iterations.
- iteration 71: trace = 6.792153695267506 (0.00109836% change)
- linmin: converged after 6 iterations.
- iteration 72: trace = 6.792149581450575 (6.05672e-05% change)
- large trace change predicted (0.000708831%)
- linmin: converged after 4 iterations.
- iteration 73: trace = 6.792101528707402 (0.000707477% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 6.792099860237837 (2.45649e-05% change)
- large trace change predicted (0.000618981%)
- linmin: converged after 4 iterations.
- iteration 75: trace = 6.79205787990562 (0.000618078% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 6.792056168827534 (2.51923e-05% change)
- large trace change predicted (0.000403212%)
- linmin: converged after 3 iterations.
- iteration 77: trace = 6.792028766644234 (0.000403445% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 6.792026998181269 (2.60373e-05% change)
- large trace change predicted (0.000260644%)
- linmin: converged after 3 iterations.
- iteration 79: trace = 6.792009274547162 (0.000260948% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 6.79200845159906 (1.21164e-05% change)
- large trace change predicted (0.000159635%)
- linmin: converged after 3 iterations.
- iteration 81: trace = 6.791997598022605 (0.000159799% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 6.791996904947478 (1.02043e-05% change)
- large trace change predicted (8.62325e-05%)
- linmin: converged after 3 iterations.
- iteration 83: trace = 6.791991045301935 (8.62728e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 6.791990706155061 (4.99334e-06% change)
- large trace change predicted (6.48367e-05%)
- linmin: converged after 4 iterations.
- iteration 85: trace = 6.791986302260665 (6.48395e-05% change)
- linmin: converged after 5 iterations.
- iteration 86: trace = 6.791986004162207 (4.38897e-06% change)
- large trace change predicted (5.18509e-05%)
- linmin: converged after 4 iterations.
- iteration 87: trace = 6.791982481881336 (5.18594e-05% change)
- linmin: converged after 4 iterations.
- iteration 88: trace = 6.79198179276332 (1.01461e-05% change)
- large trace change predicted (5.89483e-05%)
- linmin: converged after 4 iterations.
- iteration 89: trace = 6.791977794316667 (5.88701e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 6.791976820443474 (1.43386e-05% change)
- linmin: converged after 5 iterations.
- iteration 91: trace = 6.791975615140822 (1.7746e-05% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 6.791973900423805 (2.52462e-05% change)
- linmin: converged after 7 iterations.
- iteration 93: trace = 6.791973335488525 (8.31769e-06% change)
- large trace change predicted (1.69316e-05%)
- linmin: converged after 12 iterations.
- iteration 94: trace = 6.791972185590867 (1.69302e-05% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 6.79197155135575 (9.33801e-06% change)
- linmin: converged after 5 iterations.
- iteration 96: trace = 6.791970944542422 (8.93427e-06% change)
- linmin: converged after 3 iterations.
- iteration 97: trace = 6.791970211866635 (1.07874e-05% change)
- linmin: converged after 3 iterations.
- iteration 98: trace = 6.791969818862496 (5.78631e-06% change)
- linmin: converged after 3 iterations.
- iteration 99: trace = 6.791969262211649 (8.19572e-06% change)
- linmin: converged after 3 iterations.
- iteration 100: trace = 6.791968708602202 (8.15094e-06% change)
- linmin: converged after 5 iterations.
- iteration 101: trace = 6.791968653064911 (8.17691e-07% change)
- large trace change predicted (5.37706e-06%)
- linmin: converged after 2 iterations.
- iteration 102: trace = 6.791968287849869 (5.37716e-06% change)
- linmin: converged after 6 iterations.
- iteration 103: trace = 6.791968277463236 (1.52925e-07% change)
- large trace change predicted (2.60221e-06%)
- linmin: converged after 2 iterations.
- iteration 104: trace = 6.791968100721677 (2.60221e-06% change)
- linmin: converged after 6 iterations.
- iteration 105: trace = 6.791968092878765 (1.15473e-07% change)
- large trace change predicted (2.0587e-06%)
- linmin: converged after 3 iterations.
- iteration 106: trace = 6.791967953051572 (2.05871e-06% change)
- linmin: converged after 3 iterations.
- iteration 107: trace = 6.791967948024034 (7.40218e-08% change)
- large trace change predicted (1.46291e-06%)
- linmin: converged after 8 iterations.
- iteration 108: trace = 6.791967848660353 (1.46296e-06% change)
- linmin: converged after 4 iterations.
- iteration 109: trace = 6.791967845150555 (5.16757e-08% change)
- large trace change predicted (1.32858e-06%)
- linmin: converged after 3 iterations.
- iteration 110: trace = 6.791967754913359 (1.32859e-06% change)
- linmin: converged after 21 iterations.
- iteration 111: trace = 6.791967748472299 (9.48335e-08% change)
- large trace change predicted (1.1718e-06%)
- linmin: converged after 5 iterations.
- iteration 112: trace = 6.791967668877026 (1.1719e-06% change)
- linmin: converged after 5 iterations.
- iteration 113: trace = 6.79196766554222 (4.90993e-08% change)
- large trace change predicted (7.81653e-07%)
- linmin: converged after 2 iterations.
- iteration 114: trace = 6.791967612450451 (7.81685e-07% change)
- linmin: converged after 24 iterations.
- iteration 115: trace = 6.791967610959208 (2.1956e-08% change)
- large trace change predicted (2.94444e-07%)
- linmin: converged after 3 iterations.
- iteration 116: trace = 6.791967590960216 (2.94451e-07% change)
- linmin: converged after 8 iterations.
- iteration 117: trace = 6.791967587005427 (5.82274e-08% change)
- large trace change predicted (2.45919e-07%)
- linmin: converged after 30 iterations.
- iteration 118: trace = 6.791967570302307 (2.45925e-07% change)
- linmin: converged after 4 iterations.
- iteration 119: trace = 6.79196756206063 (1.21344e-07% change)
- linmin: converged after 5 iterations.
- iteration 120: trace = 6.791967546140414 (2.34398e-07% change)
- linmin: converged after 18 iterations.
- iteration 121: trace = 6.791967543171825 (4.37073e-08% change)
- large trace change predicted (2.56507e-07%)
- linmin: converged after 16 iterations.
- iteration 122: trace = 6.791967525749222 (2.56518e-07% change)
- linmin: converged after 8 iterations.
- iteration 123: trace = 6.79196752451914 (1.81108e-08% change)
- large trace change predicted (6.60925e-08%)
- linmin: converged after 15 iterations.
- iteration 124: trace = 6.79196752003006 (6.6094e-08% change)
- linmin: converged after 5 iterations.
- iteration 125: trace = 6.791967517036195 (4.40795e-08% change)
- linmin: converged after 19 iterations.
- iteration 126: trace = 6.791967516053871 (1.4463e-08% change)
- large trace change predicted (4.7355e-08%)
- linmin: converged after 7 iterations.
- iteration 127: trace = 6.79196751283756 (4.73546e-08% change)
- linmin: converged after 6 iterations.
- iteration 128: trace = 6.791967512591317 (3.6255e-09% change)
- large trace change predicted (4.03429e-08%)
- linmin: converged after 26 iterations.
- iteration 129: trace = 6.791967509851213 (4.03433e-08% change)
- linmin: converged after 27 iterations.
- iteration 130: trace = 6.791967509713659 (2.02524e-09% change)
- large trace change predicted (5.30423e-08%)
- linmin: converged after 9 iterations.
- iteration 131: trace = 6.791967506110998 (5.3043e-08% change)
- linmin: converged after 4 iterations.
- iteration 132: trace = 6.791967505801535 (4.5563e-09% change)
- large trace change predicted (5.32642e-08%)
- linmin: converged after 7 iterations.
- iteration 133: trace = 6.791967502183798 (5.32649e-08% change)
- linmin: converged after 6 iterations.
- iteration 134: trace = 6.79196750191726 (3.92431e-09% change)
- large trace change predicted (2.31904e-08%)
- linmin: converged after 7 iterations.
- iteration 135: trace = 6.79196750034217 (2.31905e-08% change)
- linmin: converged after 6 iterations.
- iteration 136: trace = 6.791967500260601 (1.20097e-09% change)
- large trace change predicted (1.46637e-08%)
- linmin: converged after 3 iterations.
- iteration 137: trace = 6.791967499264651 (1.46636e-08% change)
- linmin: converged after 5 iterations.
- iteration 138: trace = 6.791967499226701 (5.58736e-10% change)
- large trace change predicted (1.25371e-08%)
- linmin: converged after 4 iterations.
- iteration 139: trace = 6.791967498375169 (1.25373e-08% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 140: trace = 6.791967498292051 (1.22378e-09% change)
- large trace change predicted (2.54594e-09%)
- linmin: converged after 6 iterations.
- iteration 141: trace = 6.791967498119134 (2.5459e-09% change)
- linmin: converged after 26 iterations.
- iteration 142: trace = 6.791967497955175 (2.41401e-09% change)
- linmin: converged after 27 iterations.
- iteration 143: trace = 6.791967497875718 (1.16987e-09% change)
- large trace change predicted (3.67353e-09%)
- linmin: converged after 7 iterations.
- iteration 144: trace = 6.791967497626207 (3.67363e-09% change)
- linmin: converged after 6 iterations.
- iteration 145: trace = 6.791967497592159 (5.0129e-10% change)
- large trace change predicted (6.23283e-09%)
- linmin: converged after 20 iterations.
- iteration 146: trace = 6.791967497168824 (6.23288e-09% change)
- linmin: converged after 4 iterations.
- iteration 147: trace = 6.791967497130071 (5.70571e-10% change)
- large trace change predicted (4.56836e-09%)
- linmin: converged after 19 iterations.
- iteration 148: trace = 6.791967496819786 (4.56841e-09% change)
- linmin: converged after 6 iterations.
- iteration 149: trace = 6.791967496790313 (4.33944e-10% change)
- large trace change predicted (2.16893e-09%)
- linmin: converged after 22 iterations.
- iteration 150: trace = 6.791967496643008 (2.1688e-09% change)
- linmin: converged after 4 iterations.
- iteration 151: trace = 6.79196749651947 (1.81889e-09% change)
- linmin: converged after 6 iterations.
- iteration 152: trace = 6.791967496513665 (8.54575e-11% change)
-Finished solving for bands 1 to 8 after 152 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489
-elapsed time for k point: 0.9400887489318848
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.779233704149505 (0.029341% change)
- large trace change predicted (0.119594%)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.77122872818564 (0.118151% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.76788727287084 (0.04936% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.76677160790444 (0.016486% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.76553524136044 (0.0182728% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.765292028812663 (0.00359494% change)
- large trace change predicted (0.0160508%)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.764215362151291 (0.0159158% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.7640744078539 (0.00208385% change)
- large trace change predicted (0.00881556%)
- linmin: converged after 3 iterations.
- iteration 9: trace = 6.763478317595627 (0.00881298% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.763112350468273 (0.00541108% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.762840550271752 (0.00401894% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 6.762589674807687 (0.00370969% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.762500230376306 (0.00132264% change)
- large trace change predicted (0.00532386%)
- linmin: converged after 3 iterations.
- iteration 14: trace = 6.762138330078653 (0.00535172% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.762074172755888 (0.000948777% change)
- large trace change predicted (0.00413001%)
- linmin: converged after 3 iterations.
- iteration 16: trace = 6.761792961235461 (0.00415874% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.761637719094955 (0.0022959% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.761443529734488 (0.00287197% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.76135434542317 (0.00131902% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 6.761311766874297 (0.000629736% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 6.761229363792483 (0.00121875% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 6.761215170610098 (0.00020992% change)
- large trace change predicted (0.00157727%)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.761108563625406 (0.00157676% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 6.761092201397894 (0.000242005% change)
- large trace change predicted (0.00138267%)
- linmin: converged after 4 iterations.
- iteration 25: trace = 6.760998715872192 (0.00138271% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.760981371877431 (0.00025653% change)
- large trace change predicted (0.000658079%)
- linmin: converged after 3 iterations.
- iteration 27: trace = 6.760936824920137 (0.000658885% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.760923447438236 (0.000197865% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 6.760910147592869 (0.000196717% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.760890311372713 (0.000293396% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.760887282168232 (4.48048e-05% change)
- large trace change predicted (0.000191206%)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.760874346615541 (0.000191329% change)
- linmin: converged after 14 iterations.
- iteration 33: trace = 6.760867978531046 (9.41903e-05% change)
- linmin: converged after 6 iterations.
- iteration 34: trace = 6.760856625784806 (0.000167919% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.760852346347988 (6.32973e-05% change)
- large trace change predicted (0.00015525%)
- linmin: converged after 10 iterations.
- iteration 36: trace = 6.760841857753364 (0.000155137% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 6.76083824537612 (5.34309e-05% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 6.760832929740303 (7.86239e-05% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 6.760829446462945 (5.15214e-05% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 6.760828407253998 (1.5371e-05% change)
- large trace change predicted (5.882e-05%)
- linmin: converged after 4 iterations.
- iteration 41: trace = 6.760824431226565 (5.88098e-05% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 6.760823706351393 (1.07217e-05% change)
- large trace change predicted (5.521e-05%)
- linmin: converged after 5 iterations.
- iteration 43: trace = 6.760819975268813 (5.51868e-05% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 6.760818933583168 (1.54077e-05% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 6.760817397451483 (2.27211e-05% change)
- linmin: converged after 5 iterations.
- iteration 46: trace = 6.760816506038232 (1.3185e-05% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 6.760816128060983 (5.5907e-06% change)
- large trace change predicted (1.42013e-05%)
- linmin: converged after 3 iterations.
- iteration 48: trace = 6.76081516794176 (1.42012e-05% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 6.760815037114783 (1.93508e-06% change)
- large trace change predicted (1.2274e-05%)
- linmin: converged after 3 iterations.
- iteration 50: trace = 6.760814207181001 (1.22756e-05% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 6.760814122635201 (1.25053e-06% change)
- large trace change predicted (7.52087e-06%)
- linmin: converged after 5 iterations.
- iteration 52: trace = 6.760813614112545 (7.52162e-06% change)
- linmin: converged after 5 iterations.
- iteration 53: trace = 6.760813438657451 (2.59518e-06% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 6.760813112228708 (4.82825e-06% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 6.760812964855113 (2.17982e-06% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 6.760812805891664 (2.35125e-06% change)
- linmin: converged after 2 iterations.
- iteration 57: trace = 6.760812667531352 (2.0465e-06% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 6.76081262757927 (5.90936e-07% change)
- large trace change predicted (1.7818e-06%)
- linmin: converged after 31 iterations.
- iteration 59: trace = 6.760812507117609 (1.78176e-06% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 6.760812489141085 (2.65893e-07% change)
- large trace change predicted (1.67945e-06%)
- linmin: converged after 3 iterations.
- iteration 61: trace = 6.760812375599103 (1.67941e-06% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 6.760812364017938 (1.71298e-07% change)
- large trace change predicted (7.34453e-07%)
- linmin: converged after 3 iterations.
- iteration 63: trace = 6.760812314362155 (7.34465e-07% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 6.760812300203789 (2.09418e-07% change)
- large trace change predicted (4.297e-07%)
- linmin: converged after 4 iterations.
- iteration 65: trace = 6.760812271152631 (4.29699e-07% change)
- linmin: converged after 2 iterations.
- iteration 66: trace = 6.760812246336019 (3.67066e-07% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 6.76081223489381 (1.69243e-07% change)
- large trace change predicted (3.52972e-07%)
- linmin: converged after 2 iterations.
- iteration 68: trace = 6.760812211029217 (3.52984e-07% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 6.760812207709524 (4.9102e-08% change)
- resetting CG direction...
- linmin: converged after 26 iterations.
- iteration 70: trace = 6.760812205115937 (3.83621e-08% change)
- large trace change predicted (1.10414e-07%)
- linmin: converged after 13 iterations.
- iteration 71: trace = 6.76081219765096 (1.10415e-07% change)
- linmin: converged after 5 iterations.
- iteration 72: trace = 6.760812193099664 (6.73188e-08% change)
- linmin: converged after 10 iterations.
- iteration 73: trace = 6.760812189419833 (5.44288e-08% change)
- linmin: converged after 19 iterations.
- iteration 74: trace = 6.760812183684703 (8.4829e-08% change)
- linmin: converged after 19 iterations.
- iteration 75: trace = 6.760812181798141 (2.79044e-08% change)
- large trace change predicted (7.9846e-08%)
- linmin: converged after 3 iterations.
- iteration 76: trace = 6.760812176399958 (7.98452e-08% change)
- linmin: converged after 22 iterations.
- iteration 77: trace = 6.760812174751578 (2.43814e-08% change)
- large trace change predicted (1.12482e-07%)
- linmin: converged after 7 iterations.
- iteration 78: trace = 6.760812167146861 (1.12482e-07% change)
- linmin: converged after 6 iterations.
- iteration 79: trace = 6.760812165135612 (2.97486e-08% change)
- large trace change predicted (6.68494e-08%)
- linmin: converged after 4 iterations.
- iteration 80: trace = 6.760812160616077 (6.6849e-08% change)
- linmin: converged after 7 iterations.
- iteration 81: trace = 6.760812157149175 (5.12794e-08% change)
- linmin: converged after 12 iterations.
- iteration 82: trace = 6.760812155153886 (2.95126e-08% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 6.760812151447763 (5.48177e-08% change)
- linmin: converged after 4 iterations.
- iteration 84: trace = 6.760812149596605 (2.73807e-08% change)
- linmin: converged after 32 iterations.
- iteration 85: trace = 6.760812149144228 (6.69116e-09% change)
- large trace change predicted (1.60166e-08%)
- linmin: converged after 4 iterations.
- iteration 86: trace = 6.76081214806138 (1.60165e-08% change)
- linmin: converged after 6 iterations.
- iteration 87: trace = 6.760812147844664 (3.20547e-09% change)
- large trace change predicted (1.30127e-08%)
- linmin: converged after 8 iterations.
- iteration 88: trace = 6.76081214696491 (1.30125e-08% change)
- linmin: converged after 7 iterations.
- iteration 89: trace = 6.760812146818285 (2.16875e-09% change)
- large trace change predicted (1.02578e-08%)
- linmin: converged after 4 iterations.
- iteration 90: trace = 6.760812146124769 (1.02579e-08% change)
- linmin: converged after 14 iterations.
- iteration 91: trace = 6.760812145778652 (5.11946e-09% change)
- linmin: converged after 6 iterations.
- iteration 92: trace = 6.760812145286503 (7.27943e-09% change)
- linmin: converged after 18 iterations.
- iteration 93: trace = 6.760812144857756 (6.34166e-09% change)
- linmin: converged after 5 iterations.
- iteration 94: trace = 6.760812144781973 (1.12091e-09% change)
- large trace change predicted (3.99531e-09%)
- linmin: converged after 4 iterations.
- iteration 95: trace = 6.76081214451185 (3.99542e-09% change)
- linmin: converged after 20 iterations.
- iteration 96: trace = 6.760812144391321 (1.78276e-09% change)
- linmin: converged after 15 iterations.
- iteration 97: trace = 6.760812144325781 (9.69404e-10% change)
- large trace change predicted (2.03564e-09%)
- linmin: converged after 21 iterations.
- iteration 98: trace = 6.760812144188145 (2.03579e-09% change)
- linmin: converged after 9 iterations.
- iteration 99: trace = 6.760812144171469 (2.46663e-10% change)
- large trace change predicted (1.70611e-09%)
- linmin: converged after 6 iterations.
- iteration 100: trace = 6.76081214405612 (1.70615e-09% change)
- linmin: converged after 3 iterations.
- iteration 101: trace = 6.760812144045055 (1.6365e-10% change)
- large trace change predicted (1.05652e-09%)
- linmin: converged after 24 iterations.
- iteration 102: trace = 6.76081214397362 (1.05661e-09% change)
- linmin: converged after 15 iterations.
- iteration 103: trace = 6.760812143935601 (5.62349e-10% change)
- linmin: converged after 4 iterations.
- iteration 104: trace = 6.760812143927473 (1.20218e-10% change)
- large trace change predicted (6.25294e-10%)
- linmin: converged after 7 iterations.
- iteration 105: trace = 6.760812143885199 (6.25276e-10% change)
- linmin: converged after 4 iterations.
- iteration 106: trace = 6.760812143880038 (7.634e-11% change)
-Finished solving for bands 1 to 8 after 106 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406
-elapsed time for k point: 0.6568686962127686
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 6.812819628661698 (0.0683397% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 6.809521839523517 (0.0484174% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.806878732572187 (0.0388224% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 6.806531561470045 (0.00510043% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.805858812206997 (0.00988437% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 6.805278685201517 (0.0085243% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.805018736097988 (0.00381989% change)
- large trace change predicted (0.00764423%)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.804499759913973 (0.00762666% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.804166052150458 (0.00490434% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 6.803799208029116 (0.00539161% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.803510143991208 (0.00424866% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.803404288453464 (0.00155591% change)
- large trace change predicted (0.00417121%)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.803119569090784 (0.00418504% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 6.802867680929271 (0.00370261% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.802805669214712 (0.000911557% change)
- large trace change predicted (0.00372648%)
- linmin: converged after 3 iterations.
- iteration 16: trace = 6.802551006257156 (0.00374357% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.802508919730908 (0.000618689% change)
- large trace change predicted (0.00153183%)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.802404656420902 (0.00153273% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.802277520532822 (0.001869% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 6.802247414155069 (0.000442594% change)
- large trace change predicted (0.001287%)
- linmin: converged after 3 iterations.
- iteration 21: trace = 6.802159763861424 (0.00128856% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.80209711638325 (0.000920998% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.802077237360788 (0.000292249% change)
- large trace change predicted (0.000723376%)
- linmin: converged after 4 iterations.
- iteration 24: trace = 6.802028031576383 (0.000723396% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 6.802006288669485 (0.000319654% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 6.801991481607076 (0.000217687% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 6.801969367927593 (0.000325106% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 6.801957903045565 (0.000168553% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 6.801951813831908 (8.95215e-05% change)
- large trace change predicted (0.000209749%)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.801937548635867 (0.000209722% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 6.801934525942378 (4.44387e-05% change)
- large trace change predicted (0.000222054%)
- linmin: converged after 5 iterations.
- iteration 32: trace = 6.801919425329486 (0.000222005% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 6.801915441680219 (5.85666e-05% change)
- large trace change predicted (0.0001179%)
- linmin: converged after 4 iterations.
- iteration 34: trace = 6.801907423888882 (0.000117876% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.801902761556573 (6.85445e-05% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 6.801901494015955 (1.86351e-05% change)
- large trace change predicted (5.41487e-05%)
- linmin: converged after 5 iterations.
- iteration 37: trace = 6.801897811034239 (5.41464e-05% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 6.801895866748854 (2.85845e-05% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 6.801893985482835 (2.7658e-05% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 6.80189147262107 (3.69436e-05% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 6.801890700845299 (1.13465e-05% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 6.801889235431657 (2.15442e-05% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 6.801888224442996 (1.48634e-05% change)
- linmin: converged after 20 iterations.
- iteration 44: trace = 6.801887980840492 (3.5814e-06% change)
- large trace change predicted (7.42495e-06%)
- linmin: converged after 3 iterations.
- iteration 45: trace = 6.801887475818182 (7.42474e-06% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 6.801887185178447 (4.27293e-06% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 6.801886748234615 (6.42386e-06% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 6.801885976399346 (1.13474e-05% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 6.801885695022007 (4.13675e-06% change)
- linmin: converged after 7 iterations.
- iteration 50: trace = 6.801885358625245 (4.94564e-06% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 6.801885217423139 (2.07593e-06% change)
- linmin: converged after 17 iterations.
- iteration 52: trace = 6.801885140510589 (1.13075e-06% change)
- linmin: converged after 23 iterations.
- iteration 53: trace = 6.8018850178674 (1.80308e-06% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 6.801884972661144 (6.64614e-07% change)
- large trace change predicted (1.67237e-06%)
- linmin: converged after 2 iterations.
- iteration 55: trace = 6.801884858907663 (1.67238e-06% change)
- linmin: converged after 5 iterations.
- iteration 56: trace = 6.801884766735803 (1.35509e-06% change)
- linmin: converged after 6 iterations.
- iteration 57: trace = 6.801884743365361 (3.43588e-07% change)
- large trace change predicted (7.51348e-07%)
- linmin: converged after 2 iterations.
- iteration 58: trace = 6.801884692259104 (7.51354e-07% change)
- linmin: converged after 7 iterations.
- iteration 59: trace = 6.801884672406457 (2.9187e-07% change)
- linmin: converged after 6 iterations.
- iteration 60: trace = 6.801884645652149 (3.93337e-07% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 6.801884622534045 (3.39878e-07% change)
- linmin: converged after 15 iterations.
- iteration 62: trace = 6.801884613615423 (1.3112e-07% change)
- large trace change predicted (2.88122e-07%)
- linmin: converged after 3 iterations.
- iteration 63: trace = 6.801884594016905 (2.88134e-07% change)
- linmin: converged after 8 iterations.
- iteration 64: trace = 6.801884584516095 (1.39679e-07% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 6.801884576469059 (1.18306e-07% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 6.80188456659482 (1.45169e-07% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 6.801884562881307 (5.45954e-08% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 6.801884555493325 (1.08617e-07% change)
- linmin: converged after 2 iterations.
- iteration 69: trace = 6.801884549058733 (9.46001e-08% change)
- resetting CG direction...
- linmin: converged after 15 iterations.
- iteration 70: trace = 6.801884547554034 (2.21218e-08% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 6.801884545383357 (3.19129e-08% change)
- linmin: converged after 8 iterations.
- iteration 72: trace = 6.801884544195199 (1.74681e-08% change)
- linmin: converged after 6 iterations.
- iteration 73: trace = 6.80188454315787 (1.52506e-08% change)
- linmin: converged after 5 iterations.
- iteration 74: trace = 6.801884541809432 (1.98245e-08% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 6.801884541427446 (5.61588e-09% change)
- large trace change predicted (1.89351e-08%)
- linmin: converged after 4 iterations.
- iteration 76: trace = 6.801884540139519 (1.89349e-08% change)
- linmin: converged after 5 iterations.
- iteration 77: trace = 6.801884539692212 (6.57622e-09% change)
- linmin: converged after 7 iterations.
- iteration 78: trace = 6.801884539101566 (8.68356e-09% change)
- linmin: converged after 9 iterations.
- iteration 79: trace = 6.801884538450174 (9.57664e-09% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 6.801884538253588 (2.89018e-09% change)
- large trace change predicted (1.02646e-08%)
- linmin: converged after 4 iterations.
- iteration 81: trace = 6.8018845375554 (1.02646e-08% change)
- linmin: converged after 22 iterations.
- iteration 82: trace = 6.801884537150822 (5.94804e-09% change)
- linmin: converged after 5 iterations.
- iteration 83: trace = 6.801884536946329 (3.00641e-09% change)
- linmin: converged after 4 iterations.
- iteration 84: trace = 6.801884536587771 (5.27146e-09% change)
- linmin: converged after 23 iterations.
- iteration 85: trace = 6.801884536358836 (3.36576e-09% change)
- linmin: converged after 7 iterations.
- iteration 86: trace = 6.801884536234699 (1.82504e-09% change)
- linmin: converged after 14 iterations.
- iteration 87: trace = 6.801884536094423 (2.0623e-09% change)
- linmin: converged after 21 iterations.
- iteration 88: trace = 6.80188453605223 (6.20325e-10% change)
- large trace change predicted (1.76175e-09%)
- linmin: converged after 16 iterations.
- iteration 89: trace = 6.801884535932403 (1.76167e-09% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 6.801884535896058 (5.34339e-10% change)
- large trace change predicted (1.18821e-09%)
- linmin: converged after 6 iterations.
- iteration 91: trace = 6.801884535815229 (1.18833e-09% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 6.801884535775458 (5.84703e-10% change)
- linmin: converged after 16 iterations.
- iteration 93: trace = 6.80188453576309 (1.8183e-10% change)
- large trace change predicted (4.52487e-10%)
- linmin: converged after 3 iterations.
- iteration 94: trace = 6.801884535732312 (4.52493e-10% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 6.801884535718283 (2.06248e-10% change)
- linmin: converged after 2 iterations.
- iteration 96: trace = 6.80188453570752 (1.58235e-10% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 6.80188453569156 (2.34649e-10% change)
- linmin: converged after 10 iterations.
- iteration 98: trace = 6.801884535683443 (1.19335e-10% change)
- linmin: converged after 7 iterations.
- iteration 99: trace = 6.801884535667818 (2.29713e-10% change)
- linmin: converged after 12 iterations.
- iteration 100: trace = 6.801884535652636 (2.23197e-10% change)
- linmin: converged after 5 iterations.
- iteration 101: trace = 6.801884535649821 (4.13933e-11% change)
-Finished solving for bands 1 to 8 after 101 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351
-elapsed time for k point: 0.6256673336029053
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 6.925882038649622 (0.0869782% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 6.922922600920973 (0.0427393% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.920648510496537 (0.0328541% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 6.919688753726099 (0.013869% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.919278633938682 (0.00592703% change)
- large trace change predicted (0.014567%)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.918274802967817 (0.0145088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.917573100309901 (0.0101433% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 6.91717052878642 (0.00581972% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.916380857969879 (0.0114167% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 6.915938511134318 (0.00639584% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.915627903828851 (0.00449128% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 6.915057595408163 (0.008247% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.914570533658709 (0.00704374% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.914423410976549 (0.00212774% change)
- large trace change predicted (0.00433686%)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.914122172538979 (0.00435676% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 6.913960745971044 (0.00233476% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.913682738645422 (0.00402104% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.91356962437949 (0.00163611% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.913343496481604 (0.00327084% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.913262827542797 (0.00116687% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 6.913199855061523 (0.000910898% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 6.913142013102168 (0.000836692% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 6.913115926418768 (0.00037735% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.91309050341241 (0.000367751% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 6.913046686141634 (0.000633832% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.913020078791096 (0.000384887% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.913001671860747 (0.000266265% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.912976103550035 (0.000369859% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 6.912965350980596 (0.000155542% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.912958048248399 (0.000105638% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.912946398606992 (0.000168519% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.912938892000731 (0.000108588% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 6.912933382900912 (7.96926e-05% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.912927765762557 (8.12555e-05% change)
- linmin: converged after 5 iterations.
- iteration 35: trace = 6.912925419569552 (3.39392e-05% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 6.912923360114467 (2.97914e-05% change)
- linmin: converged after 5 iterations.
- iteration 37: trace = 6.912920250075139 (4.49888e-05% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 6.912919169456714 (1.56319e-05% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 6.912917519066674 (2.3874e-05% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 6.912916315539269 (1.74098e-05% change)
- linmin: converged after 17 iterations.
- iteration 41: trace = 6.912915794332187 (7.53961e-06% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 6.912915207571654 (8.48789e-06% change)
- linmin: converged after 2 iterations.
- iteration 43: trace = 6.912914545833006 (9.5725e-06% change)
- linmin: converged after 2 iterations.
- iteration 44: trace = 6.912914247706847 (4.3126e-06% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 6.912913753212571 (7.1532e-06% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 6.912913163886589 (8.525e-06% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.912912853153032 (4.49497e-06% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 6.912912671740704 (2.62425e-06% change)
- linmin: converged after 11 iterations.
- iteration 49: trace = 6.912912518892522 (2.21105e-06% change)
- linmin: converged after 8 iterations.
- iteration 50: trace = 6.912912394741083 (1.79594e-06% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 6.912912299273549 (1.381e-06% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 6.912912139298289 (2.31415e-06% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 6.912912089732205 (7.17007e-07% change)
- linmin: converged after 6 iterations.
- iteration 54: trace = 6.912911998991057 (1.31263e-06% change)
- linmin: converged after 13 iterations.
- iteration 55: trace = 6.912911935450525 (9.19157e-07% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 6.912911890746691 (6.46672e-07% change)
- linmin: converged after 7 iterations.
- iteration 57: trace = 6.912911840091572 (7.32761e-07% change)
- linmin: converged after 23 iterations.
- iteration 58: trace = 6.912911788980286 (7.3936e-07% change)
- linmin: converged after 13 iterations.
- iteration 59: trace = 6.912911777301217 (1.68946e-07% change)
- large trace change predicted (3.75959e-07%)
- linmin: converged after 4 iterations.
- iteration 60: trace = 6.912911751311498 (3.75959e-07% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 6.912911731156905 (2.9155e-07% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 6.912911716265699 (2.15411e-07% change)
- large trace change predicted (4.65098e-07%)
- linmin: converged after 5 iterations.
- iteration 63: trace = 6.912911684115905 (4.65069e-07% change)
- linmin: converged after 25 iterations.
- iteration 64: trace = 6.912911662399061 (3.14149e-07% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 6.912911652296632 (1.46139e-07% change)
- linmin: converged after 8 iterations.
- iteration 66: trace = 6.912911642987268 (1.34666e-07% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 6.912911630407877 (1.8197e-07% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 6.912911622204324 (1.1867e-07% change)
- large trace change predicted (3.31162e-07%)
- linmin: converged after 6 iterations.
- iteration 69: trace = 6.912911599310582 (3.31174e-07% change)
- resetting CG direction...
- linmin: converged after 2 iterations.
- iteration 70: trace = 6.91291158715795 (1.75796e-07% change)
- linmin: converged after 9 iterations.
- iteration 71: trace = 6.912911579317613 (1.13416e-07% change)
- linmin: converged after 21 iterations.
- iteration 72: trace = 6.912911566843272 (1.8045e-07% change)
- linmin: converged after 8 iterations.
- iteration 73: trace = 6.912911546531986 (2.93817e-07% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 6.912911524245919 (3.22383e-07% change)
- large trace change predicted (3.42786e-06%)
- linmin: converged after 4 iterations.
- iteration 75: trace = 6.912911287072744 (3.43087e-06% change)
- near maximum in trace
- linmin: converged after 11 iterations.
- iteration 76: trace = 6.909888069531068 (0.0437425% change)
- linmin: converged after 9 iterations.
- iteration 77: trace = 6.909887784314146 (4.12766e-06% change)
- linmin: converged after 7 iterations.
- iteration 78: trace = 6.909887500338854 (4.10969e-06% change)
- linmin: converged after 14 iterations.
- iteration 79: trace = 6.909887217639132 (4.09123e-06% change)
- linmin: converged after 7 iterations.
- iteration 80: trace = 6.909886936250768 (4.07226e-06% change)
- linmin: converged after 8 iterations.
- iteration 81: trace = 6.909886656139765 (4.05377e-06% change)
- linmin: converged after 17 iterations.
- iteration 82: trace = 6.909886377358567 (4.03453e-06% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 6.909886099873157 (4.01577e-06% change)
- linmin: converged after 5 iterations.
- iteration 84: trace = 6.909885823729661 (3.99635e-06% change)
- linmin: converged after 8 iterations.
- iteration 85: trace = 6.909885548913243 (3.97715e-06% change)
- linmin: converged after 7 iterations.
- iteration 86: trace = 6.909885275421666 (3.95798e-06% change)
- linmin: converged after 4 iterations.
- iteration 87: trace = 6.909885003270273 (3.93858e-06% change)
- linmin: converged after 7 iterations.
- iteration 88: trace = 6.909884732454676 (3.91925e-06% change)
- linmin: converged after 4 iterations.
- iteration 89: trace = 6.909884462957761 (3.90017e-06% change)
- linmin: converged after 4 iterations.
- iteration 90: trace = 6.909884194815677 (3.88056e-06% change)
- linmin: converged after 9 iterations.
- iteration 91: trace = 6.909883928009607 (3.86122e-06% change)
- linmin: converged after 7 iterations.
- iteration 92: trace = 6.909883662522455 (3.84214e-06% change)
- linmin: converged after 5 iterations.
- iteration 93: trace = 6.909883398382966 (3.82263e-06% change)
- linmin: converged after 5 iterations.
- iteration 94: trace = 6.909883135572693 (3.8034e-06% change)
- linmin: converged after 11 iterations.
- iteration 95: trace = 6.909882874088034 (3.78421e-06% change)
- linmin: converged after 9 iterations.
- iteration 96: trace = 6.909882613924315 (3.7651e-06% change)
- linmin: converged after 14 iterations.
- iteration 97: trace = 6.909882355073152 (3.7461e-06% change)
- linmin: converged after 12 iterations.
- iteration 98: trace = 6.909882097524109 (3.72726e-06% change)
- linmin: converged after 9 iterations.
- iteration 99: trace = 6.909881841295443 (3.70815e-06% change)
- linmin: converged after 11 iterations.
- iteration 100: trace = 6.909881586353091 (3.68953e-06% change)
- linmin: converged after 6 iterations.
- iteration 101: trace = 6.909881332717889 (3.67062e-06% change)
- linmin: converged after 14 iterations.
- iteration 102: trace = 6.9098810803694 (3.65199e-06% change)
- linmin: converged after 6 iterations.
- iteration 103: trace = 6.909880829294897 (3.63356e-06% change)
- linmin: converged after 4 iterations.
- iteration 104: trace = 6.909880579485906 (3.61524e-06% change)
- linmin: converged after 6 iterations.
- iteration 105: trace = 6.909880330953644 (3.59677e-06% change)
- linmin: converged after 5 iterations.
- iteration 106: trace = 6.909880083666328 (3.57875e-06% change)
- linmin: converged after 5 iterations.
- iteration 107: trace = 6.909879837638996 (3.56052e-06% change)
- linmin: converged after 5 iterations.
- iteration 108: trace = 6.909879592851689 (3.54257e-06% change)
- linmin: converged after 9 iterations.
- iteration 109: trace = 6.909879349295867 (3.52475e-06% change)
- linmin: converged after 7 iterations.
- iteration 110: trace = 6.909879106952831 (3.5072e-06% change)
- linmin: converged after 5 iterations.
- iteration 111: trace = 6.909878865833756 (3.48948e-06% change)
- linmin: converged after 12 iterations.
- iteration 112: trace = 6.909878625919669 (3.47204e-06% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 6.909878387191959 (3.45488e-06% change)
- linmin: converged after 4 iterations.
- iteration 114: trace = 6.909878149651229 (3.4377e-06% change)
- linmin: converged after 8 iterations.
- iteration 115: trace = 6.909877913297339 (3.42052e-06% change)
- linmin: converged after 6 iterations.
- iteration 116: trace = 6.90987767810282 (3.40374e-06% change)
- linmin: converged after 5 iterations.
- iteration 117: trace = 6.909877444075966 (3.38685e-06% change)
- linmin: converged after 8 iterations.
- iteration 118: trace = 6.909877211198532 (3.37021e-06% change)
- linmin: converged after 6 iterations.
- iteration 119: trace = 6.909876979452967 (3.35383e-06% change)
- linmin: converged after 5 iterations.
- iteration 120: trace = 6.909876748846052 (3.33735e-06% change)
- linmin: converged after 6 iterations.
- iteration 121: trace = 6.90987651936019 (3.32113e-06% change)
- linmin: converged after 5 iterations.
- iteration 122: trace = 6.909876290978394 (3.30515e-06% change)
- linmin: converged after 14 iterations.
- iteration 123: trace = 6.909876063706172 (3.28909e-06% change)
- linmin: converged after 6 iterations.
- iteration 124: trace = 6.909875837526572 (3.27328e-06% change)
- linmin: converged after 4 iterations.
- iteration 125: trace = 6.909875612423232 (3.2577e-06% change)
- linmin: converged after 14 iterations.
- iteration 126: trace = 6.909875388400514 (3.24207e-06% change)
- linmin: converged after 14 iterations.
- iteration 127: trace = 6.909875165442156 (3.22666e-06% change)
- linmin: converged after 7 iterations.
- iteration 128: trace = 6.909874943538734 (3.2114e-06% change)
- linmin: converged after 5 iterations.
- iteration 129: trace = 6.90987472268094 (3.19626e-06% change)
- linmin: converged after 6 iterations.
- iteration 130: trace = 6.909874502859484 (3.18127e-06% change)
- linmin: converged after 6 iterations.
- iteration 131: trace = 6.909874284059315 (3.16649e-06% change)
- linmin: converged after 8 iterations.
- iteration 132: trace = 6.90987406627721 (3.15175e-06% change)
- linmin: converged after 7 iterations.
- iteration 133: trace = 6.909873849504065 (3.13715e-06% change)
- linmin: converged after 7 iterations.
- iteration 134: trace = 6.909873633736144 (3.1226e-06% change)
- linmin: converged after 6 iterations.
- iteration 135: trace = 6.909873418958933 (3.10827e-06% change)
- linmin: converged after 6 iterations.
- iteration 136: trace = 6.909873205158356 (3.09413e-06% change)
- linmin: converged after 6 iterations.
- iteration 137: trace = 6.909872992335758 (3.07998e-06% change)
- linmin: converged after 6 iterations.
- iteration 138: trace = 6.909872780477195 (3.06603e-06% change)
- linmin: converged after 8 iterations.
- iteration 139: trace = 6.909872569573944 (3.0522e-06% change)
- resetting CG direction...
- large trace change predicted (0.146065%)
- linmin: converged after 6 iterations.
- iteration 140: trace = 6.900112807874646 (0.141344% change)
- linmin: converged after 4 iterations.
- iteration 141: trace = 6.886754650031223 (0.193781% change)
- linmin: converged after 4 iterations.
- iteration 142: trace = 6.877135062572776 (0.13978% change)
- linmin: converged after 3 iterations.
- iteration 143: trace = 6.870506267082638 (0.0964354% change)
- linmin: converged after 4 iterations.
- iteration 144: trace = 6.860551169816624 (0.145001% change)
- linmin: converged after 4 iterations.
- iteration 145: trace = 6.850685274511307 (0.14391% change)
- linmin: converged after 4 iterations.
- iteration 146: trace = 6.843740497784712 (0.101425% change)
- large trace change predicted (0.309023%)
- linmin: converged after 5 iterations.
- iteration 147: trace = 6.823623760537448 (0.294376% change)
- linmin: converged after 4 iterations.
- iteration 148: trace = 6.812400398950951 (0.164613% change)
- linmin: converged after 4 iterations.
- iteration 149: trace = 6.804952571758172 (0.109387% change)
- linmin: converged after 4 iterations.
- iteration 150: trace = 6.792622572528646 (0.181356% change)
- linmin: converged after 3 iterations.
- iteration 151: trace = 6.786226468461249 (0.0942069% change)
- linmin: converged after 4 iterations.
- iteration 152: trace = 6.774034327979193 (0.179822% change)
- linmin: converged after 4 iterations.
- iteration 153: trace = 6.763597790162811 (0.154186% change)
- linmin: converged after 4 iterations.
- iteration 154: trace = 6.751468321352629 (0.179496% change)
- linmin: converged after 4 iterations.
- iteration 155: trace = 6.744733604502644 (0.0998017% change)
- linmin: converged after 4 iterations.
- iteration 156: trace = 6.736517955733518 (0.121883% change)
- linmin: converged after 4 iterations.
- iteration 157: trace = 6.730507893032328 (0.089256% change)
- linmin: converged after 4 iterations.
- iteration 158: trace = 6.725610070146183 (0.072797% change)
- linmin: converged after 3 iterations.
- iteration 159: trace = 6.720070429549343 (0.0824003% change)
- linmin: converged after 4 iterations.
- iteration 160: trace = 6.716398936957599 (0.0546497% change)
- linmin: converged after 4 iterations.
- iteration 161: trace = 6.711723245098755 (0.0696403% change)
- linmin: converged after 3 iterations.
- iteration 162: trace = 6.708465862307571 (0.0485445% change)
- linmin: converged after 3 iterations.
- iteration 163: trace = 6.705377631218511 (0.0460454% change)
- linmin: converged after 3 iterations.
- iteration 164: trace = 6.7019681115547 (0.0508605% change)
- linmin: converged after 14 iterations.
- iteration 165: trace = 6.699720408550249 (0.0335436% change)
- linmin: converged after 3 iterations.
- iteration 166: trace = 6.697586295582607 (0.0318588% change)
- linmin: converged after 3 iterations.
- iteration 167: trace = 6.695563917062481 (0.0302002% change)
- linmin: converged after 3 iterations.
- iteration 168: trace = 6.69318995521045 (0.035462% change)
- linmin: converged after 4 iterations.
- iteration 169: trace = 6.691847708888887 (0.0200559% change)
- linmin: converged after 3 iterations.
- iteration 170: trace = 6.689836878793695 (0.0300535% change)
- linmin: converged after 3 iterations.
- iteration 171: trace = 6.68897407054505 (0.0128981% change)
- linmin: converged after 3 iterations.
- iteration 172: trace = 6.687710436118384 (0.0188931% change)
- linmin: converged after 3 iterations.
- iteration 173: trace = 6.687077366461639 (0.00946661% change)
- linmin: converged after 3 iterations.
- iteration 174: trace = 6.686055406055767 (0.0152838% change)
- linmin: converged after 3 iterations.
- iteration 175: trace = 6.685450523046256 (0.00904734% change)
- linmin: converged after 3 iterations.
- iteration 176: trace = 6.684549996350713 (0.0134709% change)
- linmin: converged after 3 iterations.
- iteration 177: trace = 6.684090730238815 (0.0068708% change)
- linmin: converged after 3 iterations.
- iteration 178: trace = 6.683536768548096 (0.00828811% change)
- linmin: converged after 3 iterations.
- iteration 179: trace = 6.683209332057007 (0.00489927% change)
- linmin: converged after 3 iterations.
- iteration 180: trace = 6.682804628345735 (0.00605571% change)
- linmin: converged after 3 iterations.
- iteration 181: trace = 6.682500737701841 (0.00454746% change)
- linmin: converged after 6 iterations.
- iteration 182: trace = 6.682187984963646 (0.00468028% change)
- linmin: converged after 3 iterations.
- iteration 183: trace = 6.681941626589951 (0.00368686% change)
- linmin: converged after 3 iterations.
- iteration 184: trace = 6.681749517040164 (0.0028751% change)
- linmin: converged after 3 iterations.
- iteration 185: trace = 6.681583318928936 (0.00248738% change)
- linmin: converged after 5 iterations.
- iteration 186: trace = 6.681435949572898 (0.00220563% change)
- linmin: converged after 3 iterations.
- iteration 187: trace = 6.681306362279191 (0.00193953% change)
- linmin: converged after 5 iterations.
- iteration 188: trace = 6.68118616255739 (0.00179906% change)
- linmin: converged after 3 iterations.
- iteration 189: trace = 6.681029168186527 (0.00234983% change)
- linmin: converged after 4 iterations.
- iteration 190: trace = 6.68091788698604 (0.00166564% change)
- linmin: converged after 4 iterations.
- iteration 191: trace = 6.680793007016501 (0.00186922% change)
- linmin: converged after 3 iterations.
- iteration 192: trace = 6.680698925300111 (0.00140825% change)
- linmin: converged after 3 iterations.
- iteration 193: trace = 6.680603490590562 (0.00142852% change)
- linmin: converged after 3 iterations.
- iteration 194: trace = 6.680555992876951 (0.000710982% change)
- linmin: converged after 3 iterations.
- iteration 195: trace = 6.680497530806602 (0.000875112% change)
- linmin: converged after 4 iterations.
- iteration 196: trace = 6.680465917269473 (0.000473222% change)
- linmin: converged after 5 iterations.
- iteration 197: trace = 6.680419024356515 (0.000701943% change)
- linmin: converged after 3 iterations.
- iteration 198: trace = 6.680388053627762 (0.000463606% change)
- linmin: converged after 3 iterations.
- iteration 199: trace = 6.680345252324641 (0.000640703% change)
- linmin: converged after 4 iterations.
- iteration 200: trace = 6.680315656044407 (0.000443036% change)
- linmin: converged after 13 iterations.
- iteration 201: trace = 6.680273977133462 (0.000623908% change)
- linmin: converged after 3 iterations.
- iteration 202: trace = 6.680252940741233 (0.000314904% change)
- linmin: converged after 4 iterations.
- iteration 203: trace = 6.680221024379043 (0.000477773% change)
- linmin: converged after 3 iterations.
- iteration 204: trace = 6.680206060237897 (0.000224007% change)
- linmin: converged after 3 iterations.
- iteration 205: trace = 6.680188908244978 (0.000256759% change)
- linmin: converged after 3 iterations.
- iteration 206: trace = 6.680180723571723 (0.000122522% change)
- linmin: converged after 3 iterations.
- iteration 207: trace = 6.680167171789034 (0.000202866% change)
- linmin: converged after 3 iterations.
- iteration 208: trace = 6.680160724540633 (9.65133e-05% change)
- linmin: converged after 3 iterations.
- iteration 209: trace = 6.680149211613839 (0.000172345% change)
- resetting CG direction...
- linmin: converged after 5 iterations.
- iteration 210: trace = 6.680141306405188 (0.000118339% change)
- linmin: converged after 4 iterations.
- iteration 211: trace = 6.680129707104666 (0.000173639% change)
- linmin: converged after 4 iterations.
- iteration 212: trace = 6.680117724787703 (0.000179373% change)
- linmin: converged after 3 iterations.
- iteration 213: trace = 6.680112548768048 (7.7484e-05% change)
- linmin: converged after 4 iterations.
- iteration 214: trace = 6.680102826504739 (0.000145541% change)
- linmin: converged after 10 iterations.
- iteration 215: trace = 6.680094664191323 (0.000122189% change)
- linmin: converged after 3 iterations.
- iteration 216: trace = 6.680091552906312 (4.65755e-05% change)
- linmin: converged after 4 iterations.
- iteration 217: trace = 6.680087526994608 (6.02673e-05% change)
- linmin: converged after 4 iterations.
- iteration 218: trace = 6.680084055736089 (5.19643e-05% change)
- linmin: converged after 3 iterations.
- iteration 219: trace = 6.680083094998932 (1.43821e-05% change)
- linmin: converged after 4 iterations.
- iteration 220: trace = 6.680081318393286 (2.65956e-05% change)
- linmin: converged after 2 iterations.
- iteration 221: trace = 6.680079323617409 (2.98616e-05% change)
- linmin: converged after 4 iterations.
- iteration 222: trace = 6.680077671618371 (2.47302e-05% change)
- linmin: converged after 4 iterations.
- iteration 223: trace = 6.680075761057959 (2.86009e-05% change)
- linmin: converged after 3 iterations.
- iteration 224: trace = 6.680073835787651 (2.88211e-05% change)
- linmin: converged after 4 iterations.
- iteration 225: trace = 6.680073222712853 (9.17767e-06% change)
- linmin: converged after 3 iterations.
- iteration 226: trace = 6.680072529492016 (1.03774e-05% change)
- linmin: converged after 4 iterations.
- iteration 227: trace = 6.680071660450433 (1.30095e-05% change)
- linmin: converged after 4 iterations.
- iteration 228: trace = 6.680071348592291 (4.66849e-06% change)
- linmin: converged after 3 iterations.
- iteration 229: trace = 6.680070763749358 (8.75504e-06% change)
- linmin: converged after 2 iterations.
- iteration 230: trace = 6.680070265447124 (7.45954e-06% change)
- linmin: converged after 4 iterations.
- iteration 231: trace = 6.680069810866106 (6.80503e-06% change)
- linmin: converged after 3 iterations.
- iteration 232: trace = 6.680069647127132 (2.45116e-06% change)
- large trace change predicted (5.89221e-06%)
- linmin: converged after 2 iterations.
- iteration 233: trace = 6.680069253517108 (5.8923e-06% change)
- linmin: converged after 4 iterations.
- iteration 234: trace = 6.680068947926481 (4.57466e-06% change)
- linmin: converged after 2 iterations.
- iteration 235: trace = 6.680068802272046 (2.18043e-06% change)
- linmin: converged after 13 iterations.
- iteration 236: trace = 6.680068641203307 (2.41118e-06% change)
- linmin: converged after 5 iterations.
- iteration 237: trace = 6.680068538496874 (1.53751e-06% change)
- linmin: converged after 5 iterations.
- iteration 238: trace = 6.680068501532514 (5.53353e-07% change)
- linmin: converged after 3 iterations.
- iteration 239: trace = 6.680068438512994 (9.43396e-07% change)
- linmin: converged after 5 iterations.
- iteration 240: trace = 6.680068379295211 (8.86485e-07% change)
- linmin: converged after 11 iterations.
- iteration 241: trace = 6.680068348463998 (4.6154e-07% change)
- linmin: converged after 4 iterations.
- iteration 242: trace = 6.68006830935616 (5.85441e-07% change)
- linmin: converged after 4 iterations.
- iteration 243: trace = 6.680068281396476 (4.18554e-07% change)
- linmin: converged after 5 iterations.
- iteration 244: trace = 6.680068269147787 (1.83362e-07% change)
- linmin: converged after 5 iterations.
- iteration 245: trace = 6.6800682516701 (2.61639e-07% change)
- linmin: converged after 6 iterations.
- iteration 246: trace = 6.680068231541936 (3.01317e-07% change)
- linmin: converged after 4 iterations.
- iteration 247: trace = 6.68006822014569 (1.70601e-07% change)
- linmin: converged after 4 iterations.
- iteration 248: trace = 6.680068214812728 (7.9834e-08% change)
- linmin: converged after 4 iterations.
- iteration 249: trace = 6.680068207046533 (1.16259e-07% change)
- linmin: converged after 7 iterations.
- iteration 250: trace = 6.68006819870077 (1.24935e-07% change)
- linmin: converged after 4 iterations.
- iteration 251: trace = 6.680068195620726 (4.6108e-08% change)
- linmin: converged after 4 iterations.
- iteration 252: trace = 6.680068190690411 (7.38064e-08% change)
- linmin: converged after 6 iterations.
- iteration 253: trace = 6.680068188124061 (3.8418e-08% change)
- linmin: converged after 31 iterations.
- iteration 254: trace = 6.680068186230165 (2.83514e-08% change)
- linmin: converged after 4 iterations.
- iteration 255: trace = 6.680068183548971 (4.01372e-08% change)
- linmin: converged after 6 iterations.
- iteration 256: trace = 6.680068181084417 (3.68941e-08% change)
- linmin: converged after 9 iterations.
- iteration 257: trace = 6.680068180529753 (8.30327e-09% change)
- linmin: converged after 4 iterations.
- iteration 258: trace = 6.680068179648179 (1.31971e-08% change)
- linmin: converged after 10 iterations.
- iteration 259: trace = 6.680068178936502 (1.06538e-08% change)
- linmin: converged after 7 iterations.
- iteration 260: trace = 6.680068178568506 (5.50886e-09% change)
- linmin: converged after 7 iterations.
- iteration 261: trace = 6.680068178358582 (3.14255e-09% change)
- linmin: converged after 5 iterations.
- iteration 262: trace = 6.680068178086279 (4.07635e-09% change)
- linmin: converged after 4 iterations.
- iteration 263: trace = 6.680068177950682 (2.02987e-09% change)
- linmin: converged after 4 iterations.
- iteration 264: trace = 6.680068177805048 (2.18012e-09% change)
- linmin: converged after 4 iterations.
- iteration 265: trace = 6.680068177579251 (3.38016e-09% change)
- linmin: converged after 21 iterations.
- iteration 266: trace = 6.680068177456648 (1.83536e-09% change)
- linmin: converged after 22 iterations.
- iteration 267: trace = 6.680068177411629 (6.73932e-10% change)
- large trace change predicted (1.36988e-09%)
- linmin: converged after 4 iterations.
- iteration 268: trace = 6.680068177320161 (1.36927e-09% change)
- linmin: converged after 3 iterations.
- iteration 269: trace = 6.680068177254681 (9.80231e-10% change)
- linmin: converged after 11 iterations.
- iteration 270: trace = 6.680068177226591 (4.20498e-10% change)
- linmin: converged after 13 iterations.
- iteration 271: trace = 6.68006817717807 (7.26358e-10% change)
- linmin: converged after 4 iterations.
- iteration 272: trace = 6.680068177149542 (4.27053e-10% change)
- linmin: converged after 15 iterations.
- iteration 273: trace = 6.680068177134154 (2.30366e-10% change)
- linmin: converged after 7 iterations.
- iteration 274: trace = 6.680068177119505 (2.1929e-10% change)
- linmin: converged after 16 iterations.
- iteration 275: trace = 6.68006817709515 (3.64588e-10% change)
- linmin: converged after 4 iterations.
- iteration 276: trace = 6.680068177089201 (8.90696e-11% change)
-Finished solving for bands 1 to 8 after 276 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133
-elapsed time for k point: 1.7057886123657227
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.654587647107056 (0.0686622% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.650159867781105 (0.0665594% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.648179278398916 (0.029787% change)
- linmin: converged after 11 iterations.
- iteration 4: trace = 6.64753428827374 (0.00970223% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.646966711507838 (0.00853852% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 6.645994103904903 (0.0146334% change)
- linmin: converged after 7 iterations.
- iteration 7: trace = 6.645304795434273 (0.0103723% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 6.644933112305865 (0.00559333% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.644423384405195 (0.00767122% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 6.644201201600824 (0.00334395% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.643990357561754 (0.0031734% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.643843598182427 (0.00220893% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.643564792914024 (0.00419653% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.643279683137933 (0.00429161% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.643071635833856 (0.00313174% change)
- linmin: converged after 13 iterations.
- iteration 16: trace = 6.642974802986185 (0.00145766% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 6.642909152389527 (0.000988276% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.642890198485007 (0.000285326% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 6.642868869752618 (0.000321077% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.642841265095529 (0.000415554% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 6.642822909072448 (0.000276328% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.642805067487298 (0.000268585% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.642791440630938 (0.000205137% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 6.642785629385782 (8.7482e-05% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 6.642782972183236 (4.00013e-05% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.642780011656292 (4.45676e-05% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 6.642778218592625 (2.69927e-05% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.642777034519781 (1.7825e-05% change)
- large trace change predicted (3.72542e-05%)
- linmin: converged after 5 iterations.
- iteration 29: trace = 6.642774560797502 (3.72393e-05% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.642773636337617 (1.39168e-05% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.642772723116847 (1.37476e-05% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.642771828275745 (1.34709e-05% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 6.6427708758641 (1.43376e-05% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 6.642770554213544 (4.84211e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 6.642770128476467 (6.40903e-06% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 6.642769885792485 (3.65336e-06% change)
- linmin: converged after 14 iterations.
- iteration 37: trace = 6.64276977675445 (1.64145e-06% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 6.642769636190063 (2.11605e-06% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 6.64276952993943 (1.59949e-06% change)
- linmin: converged after 6 iterations.
- iteration 40: trace = 6.642769482550485 (7.13391e-07% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 6.642769417347201 (9.81568e-07% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 6.642769380718978 (5.514e-07% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 6.642769352341737 (4.2719e-07% change)
- linmin: converged after 15 iterations.
- iteration 44: trace = 6.642769335010302 (2.60907e-07% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 6.642769308420513 (4.00282e-07% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 6.642769295753125 (1.90694e-07% change)
- linmin: converged after 7 iterations.
- iteration 47: trace = 6.642769286124278 (1.44952e-07% change)
- linmin: converged after 2 iterations.
- iteration 48: trace = 6.642769278116051 (1.20556e-07% change)
- linmin: converged after 15 iterations.
- iteration 49: trace = 6.642769268635163 (1.42725e-07% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 6.642769264679356 (5.95506e-08% change)
- linmin: converged after 2 iterations.
- iteration 51: trace = 6.642769258364048 (9.50704e-08% change)
- linmin: converged after 2 iterations.
- iteration 52: trace = 6.642769255028356 (5.02154e-08% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 6.642769253596793 (2.15507e-08% change)
- linmin: converged after 6 iterations.
- iteration 54: trace = 6.642769251332918 (3.40803e-08% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 6.64276925007824 (1.88879e-08% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 6.642769249336583 (1.11649e-08% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 6.642769248110906 (1.84513e-08% change)
- linmin: converged after 10 iterations.
- iteration 58: trace = 6.642769246939288 (1.76375e-08% change)
- linmin: converged after 2 iterations.
- iteration 59: trace = 6.642769246530508 (6.15375e-09% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 6.642769246056794 (7.13128e-09% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 6.642769245799189 (3.87797e-09% change)
- linmin: converged after 12 iterations.
- iteration 62: trace = 6.642769245597216 (3.0405e-09% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 6.64276924536166 (3.54604e-09% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 6.642769245063349 (4.49077e-09% change)
- linmin: converged after 21 iterations.
- iteration 65: trace = 6.642769244986269 (1.16035e-09% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 6.642769244866158 (1.80815e-09% change)
- linmin: converged after 12 iterations.
- iteration 67: trace = 6.642769244789783 (1.14974e-09% change)
- linmin: converged after 5 iterations.
- iteration 68: trace = 6.64276924474427 (6.85163e-10% change)
- linmin: converged after 5 iterations.
- iteration 69: trace = 6.642769244696984 (7.11838e-10% change)
- resetting CG direction...
- linmin: converged after 11 iterations.
- iteration 70: trace = 6.642769244672526 (3.68186e-10% change)
- linmin: converged after 17 iterations.
- iteration 71: trace = 6.642769244656923 (2.34895e-10% change)
- linmin: converged after 12 iterations.
- iteration 72: trace = 6.642769244637179 (2.97215e-10% change)
- linmin: converged after 7 iterations.
- iteration 73: trace = 6.642769244619195 (2.70741e-10% change)
- linmin: converged after 6 iterations.
- iteration 74: trace = 6.642769244609402 (1.47411e-10% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 6.642769244598618 (1.62346e-10% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 6.642769244581568 (2.56675e-10% change)
- linmin: converged after 6 iterations.
- iteration 77: trace = 6.642769244576151 (8.15473e-11% change)
-Finished solving for bands 1 to 8 after 77 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829
-elapsed time for k point: 0.47858119010925293
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.68742931650452 (0.117811% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 6.68264724993627 (0.0715339% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.679627785477054 (0.0451939% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.674424620075824 (0.0779264% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.670593745708849 (0.0574128% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 6.669532231866325 (0.0159146% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.668698851707744 (0.0124961% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.667450144262116 (0.0187267% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.666854082081396 (0.00894028% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 6.666560972014663 (0.00439662% change)
- large trace change predicted (0.0103219%)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.665873835374994 (0.0103077% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 6.665343845652399 (0.00795111% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.6649606862781 (0.0057487% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.664471825373208 (0.00733506% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.664343389402832 (0.00192719% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 6.664235362018363 (0.00162099% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.664099940391363 (0.00203209% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.663928196790676 (0.00257718% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.663861617064658 (0.000999111% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 6.663812745431779 (0.000733386% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 6.663735496481276 (0.00115924% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.663674584800469 (0.000914081% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.663634505870812 (0.000601456% change)
- linmin: converged after 9 iterations.
- iteration 24: trace = 6.663593036444581 (0.000622326% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.663573590797871 (0.00029182% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 6.663564019963311 (0.000143629% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 6.663549047822354 (0.000224687% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 6.663543235432437 (8.72267e-05% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 6.663539630863594 (5.40939e-05% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.663536020892542 (5.4175e-05% change)
- large trace change predicted (0.000126921%)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.663527561138237 (0.000126956% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.663522804103543 (7.13892e-05% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 6.663519840010221 (4.44824e-05% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.663516773109635 (4.60252e-05% change)
- linmin: converged after 10 iterations.
- iteration 35: trace = 6.663513854797477 (4.37954e-05% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 6.66351282127115 (1.55102e-05% change)
- large trace change predicted (3.45247e-05%)
- linmin: converged after 4 iterations.
- iteration 37: trace = 6.663510520492019 (3.4528e-05% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 6.663509473855813 (1.5707e-05% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 6.66350905948412 (6.21852e-06% change)
- large trace change predicted (1.52973e-05%)
- linmin: converged after 4 iterations.
- iteration 40: trace = 6.663508040074779 (1.52984e-05% change)
- linmin: converged after 13 iterations.
- iteration 41: trace = 6.66350736878073 (1.00742e-05% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 6.663506898774938 (7.05343e-06% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 6.663506558850175 (5.10129e-06% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 6.663506414509431 (2.16614e-06% change)
- linmin: converged after 28 iterations.
- iteration 45: trace = 6.663506331481697 (1.24601e-06% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 6.663506215056473 (1.74721e-06% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.663506039962352 (2.62766e-06% change)
- linmin: converged after 18 iterations.
- iteration 48: trace = 6.663505983919635 (8.41039e-07% change)
- linmin: converged after 11 iterations.
- iteration 49: trace = 6.663505907580257 (1.14563e-06% change)
- linmin: converged after 13 iterations.
- iteration 50: trace = 6.663505851053846 (8.48298e-07% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 6.663505805273885 (6.87025e-07% change)
- linmin: converged after 5 iterations.
- iteration 52: trace = 6.663505790517945 (2.21444e-07% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 6.663505766537905 (3.59871e-07% change)
- linmin: converged after 5 iterations.
- iteration 54: trace = 6.663505741527417 (3.75335e-07% change)
- linmin: converged after 23 iterations.
- iteration 55: trace = 6.663505723766454 (2.66541e-07% change)
- linmin: converged after 30 iterations.
- iteration 56: trace = 6.663505707395612 (2.45679e-07% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 6.663505697307992 (1.51386e-07% change)
- linmin: converged after 9 iterations.
- iteration 58: trace = 6.663505694719878 (3.88401e-08% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 6.663505691931844 (4.18403e-08% change)
- linmin: converged after 5 iterations.
- iteration 60: trace = 6.663505688935059 (4.49731e-08% change)
- linmin: converged after 6 iterations.
- iteration 61: trace = 6.663505686196303 (4.11008e-08% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 6.663505684949426 (1.8712e-08% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 6.663505683329686 (2.43076e-08% change)
- linmin: converged after 12 iterations.
- iteration 64: trace = 6.663505682013065 (1.97587e-08% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 6.663505681318125 (1.0429e-08% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 6.66350568000373 (1.97253e-08% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 6.66350567919139 (1.21909e-08% change)
- linmin: converged after 6 iterations.
- iteration 68: trace = 6.663505678759838 (6.47635e-09% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 6.663505678470865 (4.33666e-09% change)
- resetting CG direction...
- linmin: converged after 8 iterations.
- iteration 70: trace = 6.663505678324041 (2.2034e-09% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 6.663505678226369 (1.46578e-09% change)
- linmin: converged after 6 iterations.
- iteration 72: trace = 6.663505678094277 (1.98233e-09% change)
- linmin: converged after 10 iterations.
- iteration 73: trace = 6.663505677965077 (1.93892e-09% change)
- linmin: converged after 18 iterations.
- iteration 74: trace = 6.66350567790878 (8.44845e-10% change)
- linmin: converged after 5 iterations.
- iteration 75: trace = 6.663505677805992 (1.54256e-09% change)
- linmin: converged after 17 iterations.
- iteration 76: trace = 6.663505677741501 (9.67818e-10% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 6.663505677712489 (4.35392e-10% change)
- linmin: converged after 6 iterations.
- iteration 78: trace = 6.663505677678069 (5.16539e-10% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 6.663505677642904 (5.27722e-10% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 6.663505677622344 (3.08553e-10% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 6.66350567759534 (4.05255e-10% change)
- linmin: converged after 7 iterations.
- iteration 82: trace = 6.663505677568731 (3.99323e-10% change)
- linmin: converged after 8 iterations.
- iteration 83: trace = 6.663505677547433 (3.19616e-10% change)
- linmin: converged after 6 iterations.
- iteration 84: trace = 6.66350567753745 (1.49818e-10% change)
- linmin: converged after 17 iterations.
- iteration 85: trace = 6.663505677527924 (1.42953e-10% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 6.663505677520225 (1.15549e-10% change)
- linmin: converged after 4 iterations.
- iteration 87: trace = 6.663505677515312 (7.37227e-11% change)
-Finished solving for bands 1 to 8 after 87 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114
-elapsed time for k point: 0.5396192073822021
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.744447576192536 (0.144039% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.737974342923063 (0.0960248% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.732141779138002 (0.0866001% change)
- linmin: converged after 10 iterations.
- iteration 4: trace = 6.724828824799297 (0.108686% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.721434301434448 (0.0504902% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 6.718962207953828 (0.036786% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.717543137081957 (0.0211226% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.716463667344186 (0.0160707% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 6.715767538644822 (0.010365% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.714605745657165 (0.017301% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.713521880138656 (0.0161432% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 6.712581824447608 (0.0140034% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.711589810654388 (0.0147795% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 6.710907667568817 (0.0101642% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 6.710743951444661 (0.00243958% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 6.710422647844937 (0.00478801% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.710149737642435 (0.00406704% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.709926502205309 (0.00332689% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.709615223170183 (0.00463919% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.709383091625185 (0.00345974% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 6.709272391414308 (0.00164994% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.709164433466661 (0.0016091% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 6.70908228328382 (0.00122445% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.709040655657285 (0.000620469% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 6.709012986378738 (0.000412419% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 6.708973601698106 (0.000587043% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.708949152657861 (0.000364424% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 6.70893965639722 (0.000141546% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 6.708921851719259 (0.000265388% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.708911469458197 (0.000154753% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 6.70890382172838 (0.000113994% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.708893718526304 (0.000150594% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 6.708883945393598 (0.000145674% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.708879440618364 (6.71464e-05% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.70887148922375 (0.000118521% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 6.708866031276438 (8.13542e-05% change)
- linmin: converged after 5 iterations.
- iteration 37: trace = 6.708863197039666 (4.22461e-05% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 6.708860829014249 (3.5297e-05% change)
- linmin: converged after 8 iterations.
- iteration 39: trace = 6.708858447965409 (3.54911e-05% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 6.70885699851949 (2.1605e-05% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 6.708854902078135 (3.12489e-05% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 6.708852610157979 (3.41626e-05% change)
- linmin: converged after 7 iterations.
- iteration 43: trace = 6.708851929415184 (1.01469e-05% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 6.708851237626785 (1.03116e-05% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 6.70885027561984 (1.43394e-05% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 6.708849646388729 (9.37912e-06% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.708848882347832 (1.13886e-05% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 6.708848312891008 (8.48815e-06% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 6.708847879057657 (6.46658e-06% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 6.708847658500213 (3.28756e-06% change)
- large trace change predicted (7.00998e-06%)
- linmin: converged after 3 iterations.
- iteration 51: trace = 6.708847188193878 (7.01024e-06% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 6.708846832260756 (5.30543e-06% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 6.708846619290997 (3.17446e-06% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.708846387823803 (3.45018e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 6.708846177703117 (3.13199e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 6.708846099890919 (1.15984e-06% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 6.708845988799521 (1.65589e-06% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 6.708845926155869 (9.33747e-07% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 6.708845871850761 (8.09455e-07% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 6.708845822809999 (7.30987e-07% change)
- linmin: converged after 13 iterations.
- iteration 61: trace = 6.708845760356785 (9.30908e-07% change)
- linmin: converged after 2 iterations.
- iteration 62: trace = 6.708845743003738 (2.58659e-07% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 6.708845724909576 (2.69706e-07% change)
- linmin: converged after 7 iterations.
- iteration 64: trace = 6.708845702105168 (3.39916e-07% change)
- linmin: converged after 7 iterations.
- iteration 65: trace = 6.708845680327379 (3.24613e-07% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 6.708845664241937 (2.39765e-07% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 6.708845650777155 (2.00702e-07% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 6.70884564540356 (8.00972e-08% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 6.708845642040083 (5.0135e-08% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 6.708845640023133 (3.0064e-08% change)
- linmin: converged after 6 iterations.
- iteration 71: trace = 6.708845637674435 (3.5009e-08% change)
- linmin: converged after 7 iterations.
- iteration 72: trace = 6.708845634535178 (4.67928e-08% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 6.708845632986879 (2.30785e-08% change)
- linmin: converged after 5 iterations.
- iteration 74: trace = 6.708845630875833 (3.14666e-08% change)
- linmin: converged after 5 iterations.
- iteration 75: trace = 6.708845629670519 (1.7966e-08% change)
- linmin: converged after 6 iterations.
- iteration 76: trace = 6.708845628753616 (1.36671e-08% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 6.70884562822794 (7.83556e-09% change)
- large trace change predicted (2.48466e-08%)
- linmin: converged after 23 iterations.
- iteration 78: trace = 6.708845626561008 (2.48468e-08% change)
- linmin: converged after 9 iterations.
- iteration 79: trace = 6.708845625403148 (1.72587e-08% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 6.70884562479595 (9.05071e-09% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 6.708845624335575 (6.86222e-09% change)
- linmin: converged after 5 iterations.
- iteration 82: trace = 6.708845623794146 (8.07036e-09% change)
- linmin: converged after 6 iterations.
- iteration 83: trace = 6.708845623391334 (6.00419e-09% change)
- linmin: converged after 18 iterations.
- iteration 84: trace = 6.708845623153671 (3.54254e-09% change)
- linmin: converged after 4 iterations.
- iteration 85: trace = 6.708845622824374 (4.90841e-09% change)
- linmin: converged after 7 iterations.
- iteration 86: trace = 6.708845622521746 (4.51087e-09% change)
- linmin: converged after 5 iterations.
- iteration 87: trace = 6.708845622386532 (2.01547e-09% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 6.708845622195872 (2.84192e-09% change)
- linmin: converged after 13 iterations.
- iteration 89: trace = 6.70884562208354 (1.67439e-09% change)
- linmin: converged after 18 iterations.
- iteration 90: trace = 6.708845622026524 (8.49859e-10% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 6.70884562197662 (7.43855e-10% change)
- linmin: converged after 15 iterations.
- iteration 92: trace = 6.708845621907461 (1.03086e-09% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 6.708845621861144 (6.90383e-10% change)
- linmin: converged after 2 iterations.
- iteration 94: trace = 6.708845621839582 (3.21401e-10% change)
- linmin: converged after 7 iterations.
- iteration 95: trace = 6.708845621811404 (4.20005e-10% change)
- linmin: converged after 20 iterations.
- iteration 96: trace = 6.708845621769485 (6.24837e-10% change)
- linmin: converged after 2 iterations.
- iteration 97: trace = 6.708845621745693 (3.54631e-10% change)
- linmin: converged after 9 iterations.
- iteration 98: trace = 6.708845621735803 (1.47429e-10% change)
- linmin: converged after 3 iterations.
- iteration 99: trace = 6.708845621726293 (1.41749e-10% change)
- linmin: converged after 6 iterations.
- iteration 100: trace = 6.708845621714833 (1.70822e-10% change)
- linmin: converged after 16 iterations.
- iteration 101: trace = 6.708845621703096 (1.74939e-10% change)
- linmin: converged after 2 iterations.
- iteration 102: trace = 6.708845621696623 (9.64852e-11% change)
-Finished solving for bands 1 to 8 after 102 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305
-elapsed time for k point: 0.6332643032073975
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.789698402540012 (0.215823% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.777922809184626 (0.173584% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.769206232693758 (0.128685% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.76325344397442 (0.0879779% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.760899822538645 (0.0348062% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.758681340451685 (0.0328188% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 6.757086578769755 (0.0235985% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.75583213723433 (0.0185666% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 6.754118420493429 (0.0253697% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.751749024984656 (0.0350869% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.749302777868128 (0.0362379% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 6.748516468829814 (0.0116509% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.747249192728425 (0.0187804% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 6.746632657937885 (0.00913799% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 6.745834648382977 (0.011829% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 6.745082859682247 (0.0111451% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.743977423369205 (0.0163901% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.743390498642494 (0.00870332% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 6.743072725681261 (0.00471247% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.74271595156103 (0.00529111% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 6.742464067615607 (0.00373571% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.742330442516543 (0.00198186% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.742122757347128 (0.00308036% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.742003824595118 (0.00176404% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.741881004987275 (0.00182172% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 6.741788398443999 (0.00137361% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 6.741624598216273 (0.00242966% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 6.741503235165387 (0.00180022% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 6.741388464304385 (0.00170247% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 6.741262264289297 (0.00187204% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 6.741141889768689 (0.00178565% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.741091944003339 (0.000740912% change)
- large trace change predicted (0.00157116%)
- linmin: converged after 3 iterations.
- iteration 33: trace = 6.740986066559797 (0.00157064% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.740890541670522 (0.00141709% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.7408213747181 (0.00102609% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 6.740737624556463 (0.00124244% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 6.740661829510442 (0.00112444% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 6.740629883340712 (0.000473933% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 6.740602082550813 (0.000412437% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 6.740570553168162 (0.000467754% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 6.74053612837471 (0.000510712% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 6.740511929686533 (0.000359003% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 6.740477773353071 (0.000506733% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 6.740464321378628 (0.00019957% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 6.740454926780418 (0.000139376% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 6.74044291111251 (0.000178262% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.74043321663761 (0.000143826% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 6.740427223431901 (8.89143e-05% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 6.740422385872732 (7.17694e-05% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 6.740416728690716 (8.39292e-05% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 6.740414143557759 (3.83527e-05% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 6.740411995084093 (3.18745e-05% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 6.740409269342337 (4.04388e-05% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 6.740406804496367 (3.65682e-05% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 6.740405527571734 (1.89443e-05% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 6.740404266827904 (1.87043e-05% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 6.740403728311245 (7.98938e-06% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 6.740403437939013 (4.30794e-06% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 6.740402943742991 (7.33185e-06% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 6.740402141544934 (1.19013e-05% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 6.740401774224003 (5.44954e-06% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 6.740401383616216 (5.79502e-06% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 6.740401213266169 (2.5273e-06% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 6.740401083251827 (1.92888e-06% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 6.740400960788135 (1.81686e-06% change)
- linmin: converged after 5 iterations.
- iteration 66: trace = 6.740400775678938 (2.74626e-06% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 6.740400708064454 (1.00312e-06% change)
- linmin: converged after 2 iterations.
- iteration 68: trace = 6.7404006600371 (7.1253e-07% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 6.740400622536338 (5.56358e-07% change)
- resetting CG direction...
- linmin: converged after 7 iterations.
- iteration 70: trace = 6.740400603098549 (2.88377e-07% change)
- linmin: converged after 5 iterations.
- iteration 71: trace = 6.740400587214242 (2.35658e-07% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 6.740400563938179 (3.45322e-07% change)
- linmin: converged after 7 iterations.
- iteration 73: trace = 6.740400533808574 (4.47e-07% change)
- linmin: converged after 15 iterations.
- iteration 74: trace = 6.740400521523085 (1.82266e-07% change)
- linmin: converged after 15 iterations.
- iteration 75: trace = 6.740400502324264 (2.84832e-07% change)
- linmin: converged after 7 iterations.
- iteration 76: trace = 6.740400485755293 (2.45816e-07% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 6.740400468326008 (2.58579e-07% change)
- linmin: converged after 2 iterations.
- iteration 78: trace = 6.740400451024832 (2.56679e-07% change)
- linmin: converged after 25 iterations.
- iteration 79: trace = 6.740400430657317 (3.02171e-07% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 6.74040041960462 (1.63977e-07% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 6.740400411507297 (1.20131e-07% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 6.740400400768515 (1.5932e-07% change)
- linmin: converged after 5 iterations.
- iteration 83: trace = 6.740400386871048 (2.06182e-07% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 6.740400376262158 (1.57393e-07% change)
- linmin: converged after 4 iterations.
- iteration 85: trace = 6.740400359182829 (2.53387e-07% change)
- linmin: converged after 10 iterations.
- iteration 86: trace = 6.740400345748313 (1.99313e-07% change)
- linmin: converged after 10 iterations.
- iteration 87: trace = 6.740400338468786 (1.07998e-07% change)
- linmin: converged after 27 iterations.
- iteration 88: trace = 6.740400333643256 (7.15911e-08% change)
- linmin: converged after 8 iterations.
- iteration 89: trace = 6.740400326301053 (1.08928e-07% change)
- linmin: converged after 2 iterations.
- iteration 90: trace = 6.74040031633631 (1.47836e-07% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 6.740400308681972 (1.13559e-07% change)
- linmin: converged after 10 iterations.
- iteration 92: trace = 6.74040030005929 (1.27925e-07% change)
- linmin: converged after 5 iterations.
- iteration 93: trace = 6.740400294142137 (8.77864e-08% change)
- linmin: converged after 8 iterations.
- iteration 94: trace = 6.740400290939562 (4.75131e-08% change)
- linmin: converged after 6 iterations.
- iteration 95: trace = 6.740400289529115 (2.09253e-08% change)
- large trace change predicted (5.32799e-08%)
- linmin: converged after 3 iterations.
- iteration 96: trace = 6.740400285937808 (5.32803e-08% change)
- linmin: converged after 7 iterations.
- iteration 97: trace = 6.740400283463555 (3.67078e-08% change)
- linmin: converged after 4 iterations.
- iteration 98: trace = 6.740400281359919 (3.12094e-08% change)
- linmin: converged after 18 iterations.
- iteration 99: trace = 6.740400280453484 (1.34478e-08% change)
- linmin: converged after 7 iterations.
- iteration 100: trace = 6.740400279643643 (1.20147e-08% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 6.740400278718579 (1.37242e-08% change)
- linmin: converged after 4 iterations.
- iteration 102: trace = 6.740400277875298 (1.25108e-08% change)
- linmin: converged after 9 iterations.
- iteration 103: trace = 6.740400277061934 (1.2067e-08% change)
- linmin: converged after 6 iterations.
- iteration 104: trace = 6.740400276406529 (9.72354e-09% change)
- linmin: converged after 7 iterations.
- iteration 105: trace = 6.74040027574557 (9.80594e-09% change)
- linmin: converged after 4 iterations.
- iteration 106: trace = 6.74040027537741 (5.46199e-09% change)
- linmin: converged after 18 iterations.
- iteration 107: trace = 6.740400275190824 (2.76817e-09% change)
- linmin: converged after 17 iterations.
- iteration 108: trace = 6.740400275002443 (2.7948e-09% change)
- linmin: converged after 5 iterations.
- iteration 109: trace = 6.740400274841483 (2.38799e-09% change)
- linmin: converged after 4 iterations.
- iteration 110: trace = 6.740400274671768 (2.51788e-09% change)
- linmin: converged after 2 iterations.
- iteration 111: trace = 6.740400274625507 (6.86321e-10% change)
- linmin: converged after 4 iterations.
- iteration 112: trace = 6.740400274539467 (1.27649e-09% change)
- linmin: converged after 4 iterations.
- iteration 113: trace = 6.740400274488167 (7.61087e-10% change)
- linmin: converged after 21 iterations.
- iteration 114: trace = 6.740400274429472 (8.70785e-10% change)
- linmin: converged after 4 iterations.
- iteration 115: trace = 6.740400274391492 (5.63472e-10% change)
- linmin: converged after 5 iterations.
- iteration 116: trace = 6.740400274344982 (6.9001e-10% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 6.740400274310222 (5.15706e-10% change)
- linmin: converged after 6 iterations.
- iteration 118: trace = 6.74040027429874 (1.70338e-10% change)
- large trace change predicted (3.6214e-10%)
- linmin: converged after 10 iterations.
- iteration 119: trace = 6.740400274274326 (3.62208e-10% change)
- linmin: converged after 4 iterations.
- iteration 120: trace = 6.740400274257132 (2.55092e-10% change)
- linmin: converged after 4 iterations.
- iteration 121: trace = 6.740400274245594 (1.71168e-10% change)
- linmin: converged after 9 iterations.
- iteration 122: trace = 6.740400274235709 (1.46659e-10% change)
- linmin: converged after 7 iterations.
- iteration 123: trace = 6.740400274229645 (8.9959e-11% change)
-Finished solving for bands 1 to 8 after 123 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327
-elapsed time for k point: 0.7691125869750977
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 6.787868941618761 (0.213565% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 6.776022098480381 (0.174682% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 6.76992906661587 (0.0899609% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.767085857494177 (0.0420064% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.765298901818625 (0.0264101% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 6.763340700372273 (0.028949% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.760043700357894 (0.04876% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.757627087966904 (0.0357549% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.754119981759141 (0.051912% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.751635252414195 (0.0367951% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.749275853760886 (0.0349517% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.748513930768448 (0.0112896% change)
- large trace change predicted (0.0342017%)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.74618277875398 (0.0345492% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 6.744300917410761 (0.0278991% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.742003501068925 (0.0340704% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 6.740281226318531 (0.0255487% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.739215712577741 (0.0158094% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 6.738862119498992 (0.00524694% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.738332341719693 (0.00786184% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.73762597786491 (0.0104833% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 6.737211476994393 (0.00615222% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.736596718922851 (0.00912523% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.736116020675262 (0.00713588% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 6.735569722372651 (0.00811032% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.735310736074355 (0.00384513% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 6.734879752491319 (0.00639907% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.734393252444057 (0.00722385% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 6.733901766968647 (0.00729841% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 6.733209908076175 (0.0102748% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 6.732349668676493 (0.0127769% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 6.731921925214846 (0.00635376% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.73146116644943 (0.00684462% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 6.731024321106626 (0.00648982% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.730758298578559 (0.00395226% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.730487930056411 (0.00401699% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 6.730155608346905 (0.00493768% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 6.729721105743319 (0.00645626% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 6.729527833788968 (0.00287196% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 6.729325309272428 (0.00300954% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 6.729238825161824 (0.00128519% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 6.729183790569028 (0.000817846% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 6.729120122972619 (0.000946146% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 6.729017043899399 (0.00153185% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 6.728962331353364 (0.000813087% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 6.728906726607305 (0.000826353% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 6.7288674966053 (0.000583009% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.728848431854964 (0.000283328% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 6.728839597388681 (0.000131292% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 6.728828037458575 (0.000171797% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 6.728815695933926 (0.000183413% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 6.728808306215958 (0.000109822% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 6.728797313712378 (0.000163365% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 6.728790324696873 (0.000103867% change)
- linmin: converged after 5 iterations.
- iteration 54: trace = 6.728785445280219 (7.25155e-05% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 6.728781936304378 (5.21487e-05% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 6.728777421827271 (6.70921e-05% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 6.728774456663765 (4.40669e-05% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 6.728770671165874 (5.62584e-05% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 6.728766385179979 (6.36964e-05% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 6.728759704126928 (9.9291e-05% change)
- linmin: converged after 5 iterations.
- iteration 61: trace = 6.728756010862691 (5.48878e-05% change)
- linmin: converged after 5 iterations.
- iteration 62: trace = 6.728751331413709 (6.95441e-05% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 6.728747964603276 (5.00362e-05% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 6.728746081765632 (2.7982e-05% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 6.728743718559665 (3.51211e-05% change)
- linmin: converged after 7 iterations.
- iteration 66: trace = 6.728741219483796 (3.71403e-05% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 6.728737884044169 (4.95701e-05% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 6.728735364386599 (3.74462e-05% change)
- linmin: converged after 7 iterations.
- iteration 69: trace = 6.728731339106885 (5.98223e-05% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 6.728730345702195 (1.47636e-05% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 6.728729609107984 (1.0947e-05% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 6.728728724223193 (1.31508e-05% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 6.728727748843896 (1.44957e-05% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 6.728727117814104 (9.37814e-06% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 6.728726358653099 (1.12824e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 6.72872554741707 (1.20563e-05% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 6.72872509030366 (6.79346e-06% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 6.728724367522501 (1.07417e-05% change)
- linmin: converged after 3 iterations.
- iteration 79: trace = 6.72872358826846 (1.1581e-05% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 6.728722668986204 (1.36621e-05% change)
- linmin: converged after 3 iterations.
- iteration 81: trace = 6.728722087340357 (8.64422e-06% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 6.728721147171524 (1.39725e-05% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 6.728720480061222 (9.91437e-06% change)
- linmin: converged after 5 iterations.
- iteration 84: trace = 6.728720022561202 (6.79921e-06% change)
- linmin: converged after 4 iterations.
- iteration 85: trace = 6.728719590887069 (6.4154e-06% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 6.728719153441071 (6.50118e-06% change)
- linmin: converged after 4 iterations.
- iteration 87: trace = 6.728718340009831 (1.20889e-05% change)
- linmin: converged after 4 iterations.
- iteration 88: trace = 6.72871740899841 (1.38364e-05% change)
- linmin: converged after 4 iterations.
- iteration 89: trace = 6.728717035071343 (5.55718e-06% change)
- linmin: converged after 5 iterations.
- iteration 90: trace = 6.728716494418849 (8.035e-06% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 6.728716174161589 (4.75956e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 6.72871587428043 (4.45674e-06% change)
- linmin: converged after 11 iterations.
- iteration 93: trace = 6.72871560798205 (3.95764e-06% change)
- large trace change predicted (1.12239e-05%)
- linmin: converged after 5 iterations.
- iteration 94: trace = 6.728714852607432 (1.12261e-05% change)
- linmin: converged after 4 iterations.
- iteration 95: trace = 6.728714143438846 (1.05394e-05% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 6.728713790549917 (5.24452e-06% change)
- linmin: converged after 3 iterations.
- iteration 97: trace = 6.728713564804392 (3.35496e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 6.728713374895941 (2.82236e-06% change)
- linmin: converged after 2 iterations.
- iteration 99: trace = 6.728713158701467 (3.21301e-06% change)
- linmin: converged after 5 iterations.
- iteration 100: trace = 6.728713034439581 (1.84674e-06% change)
- large trace change predicted (4.58133e-06%)
- linmin: converged after 10 iterations.
- iteration 101: trace = 6.72871272617565 (4.58132e-06% change)
- linmin: converged after 5 iterations.
- iteration 102: trace = 6.728712545133647 (2.69059e-06% change)
- linmin: converged after 3 iterations.
- iteration 103: trace = 6.72871245663579 (1.31523e-06% change)
- linmin: converged after 5 iterations.
- iteration 104: trace = 6.728712395632627 (9.0661e-07% change)
- linmin: converged after 18 iterations.
- iteration 105: trace = 6.728712336928318 (8.72445e-07% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 6.728712234813192 (1.5176e-06% change)
- linmin: converged after 18 iterations.
- iteration 107: trace = 6.728712175414977 (8.82758e-07% change)
- linmin: converged after 5 iterations.
- iteration 108: trace = 6.728712079897969 (1.41954e-06% change)
- linmin: converged after 4 iterations.
- iteration 109: trace = 6.728712039127421 (6.05919e-07% change)
- linmin: converged after 4 iterations.
- iteration 110: trace = 6.728712017364623 (3.23432e-07% change)
- linmin: converged after 3 iterations.
- iteration 111: trace = 6.728711999663398 (2.6307e-07% change)
- linmin: converged after 4 iterations.
- iteration 112: trace = 6.728711988199205 (1.70377e-07% change)
- large trace change predicted (5.35313e-07%)
- linmin: converged after 4 iterations.
- iteration 113: trace = 6.728711952180902 (5.35293e-07% change)
- linmin: converged after 3 iterations.
- iteration 114: trace = 6.728711934350375 (2.64992e-07% change)
- linmin: converged after 9 iterations.
- iteration 115: trace = 6.728711913892715 (3.04035e-07% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 6.728711900894777 (1.93171e-07% change)
- linmin: converged after 8 iterations.
- iteration 117: trace = 6.728711892057472 (1.31337e-07% change)
- linmin: converged after 6 iterations.
- iteration 118: trace = 6.728711886381656 (8.43522e-08% change)
- linmin: converged after 9 iterations.
- iteration 119: trace = 6.728711875162885 (1.6673e-07% change)
- linmin: converged after 7 iterations.
- iteration 120: trace = 6.728711860792624 (2.13566e-07% change)
- linmin: converged after 2 iterations.
- iteration 121: trace = 6.728711852035588 (1.30144e-07% change)
- linmin: converged after 4 iterations.
- iteration 122: trace = 6.728711846069638 (8.86641e-08% change)
- linmin: converged after 4 iterations.
- iteration 123: trace = 6.72871184011905 (8.84358e-08% change)
- linmin: converged after 4 iterations.
- iteration 124: trace = 6.728711834492496 (8.36201e-08% change)
- linmin: converged after 14 iterations.
- iteration 125: trace = 6.728711831295445 (4.75136e-08% change)
- large trace change predicted (1.17141e-07%)
- linmin: converged after 5 iterations.
- iteration 126: trace = 6.728711823413446 (1.1714e-07% change)
- linmin: converged after 9 iterations.
- iteration 127: trace = 6.728711817748645 (8.41885e-08% change)
- linmin: converged after 18 iterations.
- iteration 128: trace = 6.728711814569593 (4.72461e-08% change)
- linmin: converged after 4 iterations.
- iteration 129: trace = 6.728711812211834 (3.50403e-08% change)
- large trace change predicted (8.45552e-08%)
- linmin: converged after 4 iterations.
- iteration 130: trace = 6.728711806522409 (8.45544e-08% change)
- large trace change predicted (2.29726e-07%)
- linmin: converged after 5 iterations.
- iteration 131: trace = 6.728711791065719 (2.29712e-07% change)
- linmin: converged after 4 iterations.
- iteration 132: trace = 6.728711774760903 (2.42317e-07% change)
- linmin: converged after 4 iterations.
- iteration 133: trace = 6.728711761604093 (1.95532e-07% change)
- linmin: converged after 4 iterations.
- iteration 134: trace = 6.728711750597898 (1.63571e-07% change)
- large trace change predicted (4.60699e-07%)
- linmin: converged after 10 iterations.
- iteration 135: trace = 6.728711719599451 (4.60689e-07% change)
- linmin: converged after 2 iterations.
- iteration 136: trace = 6.728711660575756 (8.77192e-07% change)
- large trace change predicted (2.08552e-06%)
- linmin: converged after 4 iterations.
- iteration 137: trace = 6.728711520211803 (2.08605e-06% change)
- near maximum in trace
- linmin: converged after 12 iterations.
- iteration 138: trace = 6.728465052028371 (0.003663% change)
- linmin: converged after 5 iterations.
- iteration 139: trace = 6.728464202183762 (1.26306e-05% change)
- resetting CG direction...
- large trace change predicted (0.0184248%)
- linmin: converged after 4 iterations.
- iteration 140: trace = 6.727225670170559 (0.018409% change)
- linmin: converged after 4 iterations.
- iteration 141: trace = 6.726387590530656 (0.0124588% change)
- linmin: converged after 3 iterations.
- iteration 142: trace = 6.725680184433979 (0.0105174% change)
- linmin: converged after 4 iterations.
- iteration 143: trace = 6.724746201346508 (0.0138878% change)
- linmin: converged after 7 iterations.
- iteration 144: trace = 6.724256167612527 (0.00728729% change)
- large trace change predicted (0.0177432%)
- linmin: converged after 3 iterations.
- iteration 145: trace = 6.723058136479112 (0.0178181% change)
- linmin: converged after 3 iterations.
- iteration 146: trace = 6.721590996713515 (0.0218249% change)
- linmin: converged after 3 iterations.
- iteration 147: trace = 6.720496417550089 (0.0162859% change)
- linmin: converged after 14 iterations.
- iteration 148: trace = 6.720120980306572 (0.00558661% change)
- linmin: converged after 3 iterations.
- iteration 149: trace = 6.719629682860772 (0.00731111% change)
- linmin: converged after 3 iterations.
- iteration 150: trace = 6.719110763872809 (0.00772273% change)
- linmin: converged after 4 iterations.
- iteration 151: trace = 6.718622998640353 (0.00725964% change)
- linmin: converged after 4 iterations.
- iteration 152: trace = 6.717873329396619 (0.0111587% change)
- linmin: converged after 4 iterations.
- iteration 153: trace = 6.717203357534577 (0.00997347% change)
- linmin: converged after 4 iterations.
- iteration 154: trace = 6.716425495957477 (0.0115808% change)
- linmin: converged after 3 iterations.
- iteration 155: trace = 6.716037014926792 (0.00578421% change)
- linmin: converged after 4 iterations.
- iteration 156: trace = 6.715270861601974 (0.0114085% change)
- linmin: converged after 3 iterations.
- iteration 157: trace = 6.714234395327811 (0.0154357% change)
- linmin: converged after 4 iterations.
- iteration 158: trace = 6.713314192592557 (0.0137062% change)
- linmin: converged after 3 iterations.
- iteration 159: trace = 6.711854503131645 (0.0217456% change)
- linmin: converged after 5 iterations.
- iteration 160: trace = 6.709898602357587 (0.0291452% change)
- linmin: converged after 4 iterations.
- iteration 161: trace = 6.707657310593067 (0.0334083% change)
- linmin: converged after 4 iterations.
- iteration 162: trace = 6.70652710815731 (0.0168509% change)
- linmin: converged after 4 iterations.
- iteration 163: trace = 6.704294987753909 (0.0332883% change)
- linmin: converged after 6 iterations.
- iteration 164: trace = 6.702317773522212 (0.0294961% change)
- linmin: converged after 5 iterations.
- iteration 165: trace = 6.699271102363946 (0.0454673% change)
- linmin: converged after 5 iterations.
- iteration 166: trace = 6.695290056097197 (0.0594427% change)
- linmin: converged after 7 iterations.
- iteration 167: trace = 6.691518722870164 (0.056344% change)
- linmin: converged after 5 iterations.
- iteration 168: trace = 6.687850703536997 (0.054831% change)
- linmin: converged after 4 iterations.
- iteration 169: trace = 6.685975389033564 (0.0280445% change)
- linmin: converged after 4 iterations.
- iteration 170: trace = 6.684721883185482 (0.01875% change)
- linmin: converged after 4 iterations.
- iteration 171: trace = 6.683252265551213 (0.0219871% change)
- linmin: converged after 3 iterations.
- iteration 172: trace = 6.682221944554534 (0.0154176% change)
- linmin: converged after 3 iterations.
- iteration 173: trace = 6.681419790185795 (0.012005% change)
- linmin: converged after 4 iterations.
- iteration 174: trace = 6.68015895408827 (0.0188726% change)
- linmin: converged after 4 iterations.
- iteration 175: trace = 6.678688261946259 (0.0220182% change)
- linmin: converged after 4 iterations.
- iteration 176: trace = 6.677398674762745 (0.0193109% change)
- linmin: converged after 4 iterations.
- iteration 177: trace = 6.675743896738738 (0.0247848% change)
- linmin: converged after 4 iterations.
- iteration 178: trace = 6.673850196175163 (0.0283709% change)
- linmin: converged after 4 iterations.
- iteration 179: trace = 6.672013635763772 (0.0275225% change)
- linmin: converged after 4 iterations.
- iteration 180: trace = 6.670262185606556 (0.0262541% change)
- linmin: converged after 4 iterations.
- iteration 181: trace = 6.669026805118524 (0.0185224% change)
- linmin: converged after 5 iterations.
- iteration 182: trace = 6.668049543301572 (0.0146548% change)
- linmin: converged after 4 iterations.
- iteration 183: trace = 6.666906768726656 (0.0171395% change)
- linmin: converged after 5 iterations.
- iteration 184: trace = 6.665999390113961 (0.0136111% change)
- linmin: converged after 3 iterations.
- iteration 185: trace = 6.665499340640187 (0.00750177% change)
- linmin: converged after 4 iterations.
- iteration 186: trace = 6.665024495688508 (0.00712418% change)
- linmin: converged after 3 iterations.
- iteration 187: trace = 6.664418224479248 (0.00909672% change)
- linmin: converged after 7 iterations.
- iteration 188: trace = 6.663924294348037 (0.00741173% change)
- linmin: converged after 3 iterations.
- iteration 189: trace = 6.663518663923695 (0.00608715% change)
- linmin: converged after 3 iterations.
- iteration 190: trace = 6.663009199644129 (0.00764587% change)
- linmin: converged after 5 iterations.
- iteration 191: trace = 6.662347801470429 (0.00992691% change)
- linmin: converged after 4 iterations.
- iteration 192: trace = 6.661524813297024 (0.0123536% change)
- linmin: converged after 4 iterations.
- iteration 193: trace = 6.660609132042394 (0.0137468% change)
- linmin: converged after 4 iterations.
- iteration 194: trace = 6.659930512179589 (0.0101891% change)
- linmin: converged after 6 iterations.
- iteration 195: trace = 6.659423967212249 (0.00760615% change)
- linmin: converged after 5 iterations.
- iteration 196: trace = 6.658845882317971 (0.00868108% change)
- linmin: converged after 3 iterations.
- iteration 197: trace = 6.65833465823114 (0.00767766% change)
- linmin: converged after 3 iterations.
- iteration 198: trace = 6.658045818890158 (0.00433811% change)
- linmin: converged after 3 iterations.
- iteration 199: trace = 6.657814669536256 (0.00347179% change)
- linmin: converged after 4 iterations.
- iteration 200: trace = 6.657518703428868 (0.00444549% change)
- linmin: converged after 3 iterations.
- iteration 201: trace = 6.65721478112431 (0.0045652% change)
- linmin: converged after 5 iterations.
- iteration 202: trace = 6.656933532200783 (0.00422481% change)
- linmin: converged after 3 iterations.
- iteration 203: trace = 6.656587843600366 (0.00519305% change)
- linmin: converged after 4 iterations.
- iteration 204: trace = 6.656175076130328 (0.00620108% change)
- linmin: converged after 3 iterations.
- iteration 205: trace = 6.655736760430188 (0.00658532% change)
- linmin: converged after 3 iterations.
- iteration 206: trace = 6.655282372011525 (0.00682725% change)
- linmin: converged after 3 iterations.
- iteration 207: trace = 6.654934601432212 (0.00522562% change)
- linmin: converged after 3 iterations.
- iteration 208: trace = 6.654678151045698 (0.00385361% change)
- linmin: converged after 3 iterations.
- iteration 209: trace = 6.654370645668481 (0.004621% change)
- resetting CG direction...
- large trace change predicted (0.00953096%)
- linmin: converged after 3 iterations.
- iteration 210: trace = 6.653734021942329 (0.00956746% change)
- linmin: converged after 4 iterations.
- iteration 211: trace = 6.652971331034476 (0.0114633% change)
- linmin: converged after 4 iterations.
- iteration 212: trace = 6.652002827476375 (0.0145585% change)
- linmin: converged after 3 iterations.
- iteration 213: trace = 6.651286209350241 (0.0107735% change)
- linmin: converged after 5 iterations.
- iteration 214: trace = 6.650837271835792 (0.00674986% change)
- large trace change predicted (0.0193391%)
- linmin: converged after 3 iterations.
- iteration 215: trace = 6.649539474461997 (0.0195152% change)
- linmin: converged after 3 iterations.
- iteration 216: trace = 6.648510083372565 (0.0154818% change)
- linmin: converged after 3 iterations.
- iteration 217: trace = 6.647980339916255 (0.00796817% change)
- linmin: converged after 3 iterations.
- iteration 218: trace = 6.647615451110134 (0.00548887% change)
- linmin: converged after 3 iterations.
- iteration 219: trace = 6.647091317934905 (0.00788484% change)
- linmin: converged after 4 iterations.
- iteration 220: trace = 6.646422541909829 (0.0100617% change)
- linmin: converged after 4 iterations.
- iteration 221: trace = 6.645551228482385 (0.0131104% change)
- linmin: converged after 3 iterations.
- iteration 222: trace = 6.644472138878054 (0.0162391% change)
- linmin: converged after 3 iterations.
- iteration 223: trace = 6.644009893870725 (0.00695708% change)
- linmin: converged after 4 iterations.
- iteration 224: trace = 6.643710157708425 (0.00451148% change)
- linmin: converged after 4 iterations.
- iteration 225: trace = 6.643375303506406 (0.0050403% change)
- linmin: converged after 4 iterations.
- iteration 226: trace = 6.64275621234844 (0.00931936% change)
- linmin: converged after 3 iterations.
- iteration 227: trace = 6.642363878543177 (0.00590636% change)
- linmin: converged after 4 iterations.
- iteration 228: trace = 6.641680994332497 (0.0102813% change)
- linmin: converged after 4 iterations.
- iteration 229: trace = 6.641114758871316 (0.00852585% change)
- linmin: converged after 3 iterations.
- iteration 230: trace = 6.64071368687978 (0.00603941% change)
- linmin: converged after 7 iterations.
- iteration 231: trace = 6.640434090562495 (0.00421042% change)
- linmin: converged after 5 iterations.
- iteration 232: trace = 6.640119211598217 (0.00474196% change)
- linmin: converged after 6 iterations.
- iteration 233: trace = 6.639902046612212 (0.00327055% change)
- linmin: converged after 4 iterations.
- iteration 234: trace = 6.63957501130691 (0.00492542% change)
- linmin: converged after 7 iterations.
- iteration 235: trace = 6.639325072147652 (0.00376446% change)
- linmin: converged after 4 iterations.
- iteration 236: trace = 6.639218484211825 (0.00160542% change)
- linmin: converged after 5 iterations.
- iteration 237: trace = 6.639148710078965 (0.00105094% change)
- linmin: converged after 6 iterations.
- iteration 238: trace = 6.639067895394519 (0.00121725% change)
- linmin: converged after 4 iterations.
- iteration 239: trace = 6.639016127198259 (0.000779754% change)
- linmin: converged after 4 iterations.
- iteration 240: trace = 6.638968472542567 (0.0007178% change)
- linmin: converged after 4 iterations.
- iteration 241: trace = 6.63889603719281 (0.00109107% change)
- linmin: converged after 7 iterations.
- iteration 242: trace = 6.638849856045798 (0.000695617% change)
- linmin: converged after 3 iterations.
- iteration 243: trace = 6.63881574346586 (0.000513834% change)
- linmin: converged after 8 iterations.
- iteration 244: trace = 6.638799478784 (0.000244994% change)
- linmin: converged after 3 iterations.
- iteration 245: trace = 6.638789010025883 (0.000157691% change)
- linmin: converged after 3 iterations.
- iteration 246: trace = 6.638782676455686 (9.54025e-05% change)
- linmin: converged after 3 iterations.
- iteration 247: trace = 6.638771442919003 (0.000169211% change)
- linmin: converged after 5 iterations.
- iteration 248: trace = 6.63876396797207 (0.000112595% change)
- linmin: converged after 4 iterations.
- iteration 249: trace = 6.638757041238585 (0.000104338% change)
- linmin: converged after 4 iterations.
- iteration 250: trace = 6.63875181895463 (7.86636e-05% change)
- linmin: converged after 4 iterations.
- iteration 251: trace = 6.638748272687267 (5.34177e-05% change)
- linmin: converged after 4 iterations.
- iteration 252: trace = 6.638746723847516 (2.33303e-05% change)
- linmin: converged after 3 iterations.
- iteration 253: trace = 6.638744550600101 (3.27358e-05% change)
- linmin: converged after 3 iterations.
- iteration 254: trace = 6.638743112142956 (2.16676e-05% change)
- linmin: converged after 3 iterations.
- iteration 255: trace = 6.638741274188764 (2.76853e-05% change)
- linmin: converged after 16 iterations.
- iteration 256: trace = 6.638739467298501 (2.72174e-05% change)
- linmin: converged after 4 iterations.
- iteration 257: trace = 6.638738349202688 (1.6842e-05% change)
- linmin: converged after 6 iterations.
- iteration 258: trace = 6.638737835689367 (7.7351e-06% change)
- linmin: converged after 3 iterations.
- iteration 259: trace = 6.638737218899633 (9.29077e-06% change)
- linmin: converged after 3 iterations.
- iteration 260: trace = 6.638736854734873 (5.48545e-06% change)
- linmin: converged after 3 iterations.
- iteration 261: trace = 6.63873627690166 (8.70396e-06% change)
- linmin: converged after 16 iterations.
- iteration 262: trace = 6.638735729089737 (8.25175e-06% change)
- linmin: converged after 4 iterations.
- iteration 263: trace = 6.6387352553989 (7.13526e-06% change)
- linmin: converged after 5 iterations.
- iteration 264: trace = 6.638735054672749 (3.02356e-06% change)
- linmin: converged after 5 iterations.
- iteration 265: trace = 6.638734869417193 (2.79052e-06% change)
- linmin: converged after 6 iterations.
- iteration 266: trace = 6.638734731754969 (2.07362e-06% change)
- linmin: converged after 16 iterations.
- iteration 267: trace = 6.638734628724432 (1.55196e-06% change)
- linmin: converged after 16 iterations.
- iteration 268: trace = 6.638734462768283 (2.49982e-06% change)
- linmin: converged after 16 iterations.
- iteration 269: trace = 6.638734304607528 (2.38239e-06% change)
- linmin: converged after 7 iterations.
- iteration 270: trace = 6.638734216530693 (1.32671e-06% change)
- linmin: converged after 5 iterations.
- iteration 271: trace = 6.638734134679857 (1.23293e-06% change)
- linmin: converged after 5 iterations.
- iteration 272: trace = 6.638734089154566 (6.85753e-07% change)
- linmin: converged after 6 iterations.
- iteration 273: trace = 6.638734054364789 (5.24042e-07% change)
- linmin: converged after 4 iterations.
- iteration 274: trace = 6.63873399397008 (9.09732e-07% change)
- linmin: converged after 7 iterations.
- iteration 275: trace = 6.638733923635748 (1.05945e-06% change)
- linmin: converged after 4 iterations.
- iteration 276: trace = 6.638733868929354 (8.24049e-07% change)
- linmin: converged after 8 iterations.
- iteration 277: trace = 6.638733816587413 (7.88433e-07% change)
- linmin: converged after 7 iterations.
- iteration 278: trace = 6.638733780054953 (5.50293e-07% change)
- linmin: converged after 5 iterations.
- iteration 279: trace = 6.638733762993164 (2.57004e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 280: trace = 6.638733753319537 (1.45715e-07% change)
- linmin: converged after 8 iterations.
- iteration 281: trace = 6.638733739343934 (2.10516e-07% change)
- linmin: converged after 4 iterations.
- iteration 282: trace = 6.638733714968705 (3.67167e-07% change)
- linmin: converged after 5 iterations.
- iteration 283: trace = 6.638733697635013 (2.61099e-07% change)
- linmin: converged after 4 iterations.
- iteration 284: trace = 6.638733679257065 (2.76829e-07% change)
- linmin: converged after 3 iterations.
- iteration 285: trace = 6.638733663313102 (2.40166e-07% change)
- linmin: converged after 5 iterations.
- iteration 286: trace = 6.638733649720824 (2.04742e-07% change)
- linmin: converged after 4 iterations.
- iteration 287: trace = 6.638733642397483 (1.10312e-07% change)
- large trace change predicted (3.06615e-07%)
- linmin: converged after 4 iterations.
- iteration 288: trace = 6.638733622042839 (3.06604e-07% change)
- linmin: converged after 11 iterations.
- iteration 289: trace = 6.638733598840012 (3.49507e-07% change)
- linmin: converged after 3 iterations.
- iteration 290: trace = 6.638733576526505 (3.36111e-07% change)
- linmin: converged after 5 iterations.
- iteration 291: trace = 6.638733563837013 (1.91143e-07% change)
- linmin: converged after 5 iterations.
- iteration 292: trace = 6.638733549820286 (2.11136e-07% change)
- linmin: converged after 4 iterations.
- iteration 293: trace = 6.638733541093235 (1.31457e-07% change)
- linmin: converged after 6 iterations.
- iteration 294: trace = 6.638733535467152 (8.47463e-08% change)
- linmin: converged after 3 iterations.
- iteration 295: trace = 6.638733526098875 (1.41115e-07% change)
- linmin: converged after 7 iterations.
- iteration 296: trace = 6.638733515386362 (1.61364e-07% change)
- linmin: converged after 5 iterations.
- iteration 297: trace = 6.638733504209687 (1.68356e-07% change)
- linmin: converged after 6 iterations.
- iteration 298: trace = 6.638733499493042 (7.10474e-08% change)
- linmin: converged after 6 iterations.
- iteration 299: trace = 6.638733493647839 (8.8047e-08% change)
- linmin: converged after 14 iterations.
- iteration 300: trace = 6.638733488792827 (7.31316e-08% change)
- linmin: converged after 22 iterations.
- iteration 301: trace = 6.638733482768131 (9.07507e-08% change)
- linmin: converged after 6 iterations.
- iteration 302: trace = 6.638733478266698 (6.78056e-08% change)
- linmin: converged after 4 iterations.
- iteration 303: trace = 6.638733471761608 (9.79869e-08% change)
- linmin: converged after 4 iterations.
- iteration 304: trace = 6.638733467798773 (5.96926e-08% change)
- linmin: converged after 4 iterations.
- iteration 305: trace = 6.638733466611077 (1.78904e-08% change)
- linmin: converged after 7 iterations.
- iteration 306: trace = 6.638733465224359 (2.08883e-08% change)
- linmin: converged after 4 iterations.
- iteration 307: trace = 6.638733463533532 (2.54691e-08% change)
- linmin: converged after 4 iterations.
- iteration 308: trace = 6.638733461458933 (3.12499e-08% change)
- linmin: converged after 4 iterations.
- iteration 309: trace = 6.638733459683483 (2.67438e-08% change)
- linmin: converged after 8 iterations.
- iteration 310: trace = 6.638733459151364 (8.01536e-09% change)
- linmin: converged after 2 iterations.
- iteration 311: trace = 6.638733458305864 (1.27359e-08% change)
- linmin: converged after 8 iterations.
- iteration 312: trace = 6.638733457933458 (5.6096e-09% change)
- linmin: converged after 17 iterations.
- iteration 313: trace = 6.638733457618706 (4.74114e-09% change)
- linmin: converged after 4 iterations.
- iteration 314: trace = 6.638733457246565 (5.6056e-09% change)
- linmin: converged after 4 iterations.
- iteration 315: trace = 6.63873345662853 (9.30954e-09% change)
- linmin: converged after 27 iterations.
- iteration 316: trace = 6.638733456168647 (6.92727e-09% change)
- linmin: converged after 6 iterations.
- iteration 317: trace = 6.638733456016138 (2.29726e-09% change)
- linmin: converged after 3 iterations.
- iteration 318: trace = 6.63873345592733 (1.33773e-09% change)
- linmin: converged after 3 iterations.
- iteration 319: trace = 6.638733455861431 (9.92635e-10% change)
- linmin: converged after 4 iterations.
- iteration 320: trace = 6.638733455788412 (1.09991e-09% change)
- linmin: converged after 4 iterations.
- iteration 321: trace = 6.63873345572871 (8.99292e-10% change)
- linmin: converged after 10 iterations.
- iteration 322: trace = 6.638733455645148 (1.25871e-09% change)
- linmin: converged after 4 iterations.
- iteration 323: trace = 6.638733455573155 (1.08444e-09% change)
- linmin: converged after 4 iterations.
- iteration 324: trace = 6.638733455556595 (2.49433e-10% change)
- linmin: converged after 4 iterations.
- iteration 325: trace = 6.638733455540329 (2.45018e-10% change)
- linmin: converged after 2 iterations.
- iteration 326: trace = 6.638733455526417 (2.09564e-10% change)
- linmin: converged after 6 iterations.
- iteration 327: trace = 6.638733455512361 (2.11718e-10% change)
- linmin: converged after 6 iterations.
- iteration 328: trace = 6.638733455504184 (1.23178e-10% change)
- linmin: converged after 4 iterations.
- iteration 329: trace = 6.638733455491636 (1.89015e-10% change)
- linmin: converged after 4 iterations.
- iteration 330: trace = 6.638733455483589 (1.21211e-10% change)
- linmin: converged after 3 iterations.
- iteration 331: trace = 6.638733455480923 (4.0163e-11% change)
-Finished solving for bands 1 to 8 after 331 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454
-elapsed time for k point: 2.0750625133514404
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.6260576636651 (0.100231% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.622613155506363 (0.0519978% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 6.620673763192594 (0.0292887% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 6.61959770366671 (0.0162543% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 6.618315111654894 (0.0193776% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 6.617219287554234 (0.0165588% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.615295861087446 (0.0290712% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 6.61417947717352 (0.0168772% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 6.613750797582683 (0.00648143% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.613492236553606 (0.00390952% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.613099997166025 (0.00593107% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 6.612508104554861 (0.00895071% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.611911604270607 (0.00902119% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.611621979155153 (0.00438045% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 6.61152879743824 (0.00140937% change)
- linmin: converged after 10 iterations.
- iteration 16: trace = 6.611478379688956 (0.000762576% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.611426401150281 (0.000786189% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.611356799138305 (0.00105276% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.611309368452345 (0.000717415% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.611236277861248 (0.00110554% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 6.611184239585778 (0.000787122% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.611157390189376 (0.000406122% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.611149760151916 (0.000115412% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.611137418040058 (0.000186686% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 6.611117109453347 (0.000307188% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 6.611106886969172 (0.000154626% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.611093350464097 (0.000204754% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 6.611088832489158 (6.83393e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 6.611086831710893 (3.0264e-05% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 6.611085128689046 (2.57601e-05% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 6.611082646624049 (3.7544e-05% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.611078563754775 (6.1758e-05% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 6.611077155520979 (2.13011e-05% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.611075809232332 (2.03641e-05% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 6.611075193893146 (9.3077e-06% change)
- linmin: converged after 6 iterations.
- iteration 36: trace = 6.611074698949416 (7.48658e-06% change)
- linmin: converged after 2 iterations.
- iteration 37: trace = 6.611074407602309 (4.40696e-06% change)
- large trace change predicted (9.33395e-06%)
- linmin: converged after 7 iterations.
- iteration 38: trace = 6.611073790566093 (9.33337e-06% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 6.611073203340129 (8.88246e-06% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 6.611073052510149 (2.28147e-06% change)
- linmin: converged after 23 iterations.
- iteration 41: trace = 6.611072941966639 (1.6721e-06% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 6.611072860997261 (1.22475e-06% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 6.611072808574963 (7.92947e-07% change)
- linmin: converged after 9 iterations.
- iteration 44: trace = 6.611072776016216 (4.92488e-07% change)
- linmin: converged after 11 iterations.
- iteration 45: trace = 6.611072738164962 (5.72543e-07% change)
- linmin: converged after 7 iterations.
- iteration 46: trace = 6.611072698871501 (5.94358e-07% change)
- linmin: converged after 11 iterations.
- iteration 47: trace = 6.611072683715105 (2.29258e-07% change)
- linmin: converged after 12 iterations.
- iteration 48: trace = 6.611072672234465 (1.73658e-07% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 6.611072662758118 (1.43341e-07% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 6.611072656974429 (8.74849e-08% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 6.611072652150455 (7.29681e-08% change)
- linmin: converged after 11 iterations.
- iteration 52: trace = 6.6110726464698 (8.59264e-08% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 6.611072641173973 (8.01054e-08% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 6.611072640190232 (1.48802e-08% change)
- linmin: converged after 13 iterations.
- iteration 55: trace = 6.611072639602208 (8.89454e-09% change)
- linmin: converged after 18 iterations.
- iteration 56: trace = 6.611072639215561 (5.84848e-09% change)
- linmin: converged after 19 iterations.
- iteration 57: trace = 6.611072638759536 (6.89789e-09% change)
- linmin: converged after 9 iterations.
- iteration 58: trace = 6.611072638475058 (4.30306e-09% change)
- linmin: converged after 24 iterations.
- iteration 59: trace = 6.611072638036691 (6.6308e-09% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 6.611072637785712 (3.79634e-09% change)
- linmin: converged after 23 iterations.
- iteration 61: trace = 6.611072637654464 (1.98527e-09% change)
- linmin: converged after 8 iterations.
- iteration 62: trace = 6.611072637585958 (1.03623e-09% change)
- linmin: converged after 10 iterations.
- iteration 63: trace = 6.611072637534597 (7.76902e-10% change)
- linmin: converged after 5 iterations.
- iteration 64: trace = 6.611072637495156 (5.96582e-10% change)
- linmin: converged after 5 iterations.
- iteration 65: trace = 6.611072637473903 (3.21479e-10% change)
- large trace change predicted (1.05746e-09%)
- linmin: converged after 7 iterations.
- iteration 66: trace = 6.611072637403989 (1.05753e-09% change)
- linmin: converged after 5 iterations.
- iteration 67: trace = 6.611072637378327 (3.88169e-10% change)
- linmin: converged after 10 iterations.
- iteration 68: trace = 6.611072637366791 (1.7449e-10% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 6.611072637361785 (7.57315e-11% change)
-Finished solving for bands 1 to 8 after 69 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128
-elapsed time for k point: 0.4353303909301758
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.696548452574453 (0.194448% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 6.68934246550691 (0.107665% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 6.684968588109188 (0.0654071% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.682654417949922 (0.0346235% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 6.680578974781489 (0.031062% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.677750730955622 (0.0423443% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 6.674361515953921 (0.0507667% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.672549249849368 (0.0271563% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.670357073705703 (0.0328591% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.669034273193324 (0.019833% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.667931878740369 (0.0165314% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.667446347570774 (0.00728185% change)
- large trace change predicted (0.0240835%)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.665843395724869 (0.0240444% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 6.664868522369391 (0.014626% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.663981786838425 (0.0133055% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 6.663285117050775 (0.0104548% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 6.662813208995669 (0.00708246% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.662657367837145 (0.002339% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.662510138456993 (0.00220979% change)
- large trace change predicted (0.00524066%)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.662160849172216 (0.00524275% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 6.6619742098717 (0.00280152% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 6.661701520712338 (0.0040933% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.661499720848783 (0.0030293% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.661401436788111 (0.00147542% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.661330968882906 (0.00105786% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.661273357507079 (0.000864867% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 6.661214838038512 (0.000878507% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.661157759357232 (0.000856885% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 6.661112661270185 (0.000677033% change)
- linmin: converged after 13 iterations.
- iteration 30: trace = 6.661070300428092 (0.000635944% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 6.661058307974867 (0.000180038% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.661042292604195 (0.000240433% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 6.661028283391409 (0.000210316% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.661012969908079 (0.000229897% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.661000272792445 (0.000190619% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 6.660981057700925 (0.000288472% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 6.660974846350101 (9.32498e-05% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 6.660970536537528 (6.47025e-05% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 6.660965329883129 (7.81666e-05% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 6.660960399141092 (7.40245e-05% change)
- linmin: converged after 9 iterations.
- iteration 41: trace = 6.660955690692173 (7.06873e-05% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 6.660951410711075 (6.42548e-05% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 6.660948058569119 (5.03253e-05% change)
- linmin: converged after 7 iterations.
- iteration 44: trace = 6.660947085941372 (1.46019e-05% change)
- large trace change predicted (2.98581e-05%)
- linmin: converged after 3 iterations.
- iteration 45: trace = 6.660945097034071 (2.98592e-05% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 6.660943821783676 (1.91452e-05% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.660942440495745 (2.07371e-05% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 6.660941469353187 (1.45797e-05% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 6.660940204101015 (1.89951e-05% change)
- linmin: converged after 6 iterations.
- iteration 50: trace = 6.660939460724643 (1.11602e-05% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 6.66093894801723 (7.69722e-06% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 6.660938435135448 (7.69984e-06% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 6.660938003142447 (6.48547e-06% change)
- linmin: converged after 5 iterations.
- iteration 54: trace = 6.66093769090408 (4.6876e-06% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 6.66093725847799 (6.49197e-06% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 6.660937080980935 (2.66475e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 6.660937039755714 (6.1891e-07% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 6.660936992661449 (7.07022e-07% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 6.660936943514294 (7.37841e-07% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 6.660936890542162 (7.95265e-07% change)
- linmin: converged after 2 iterations.
- iteration 61: trace = 6.660936833462838 (8.56926e-07% change)
- linmin: converged after 5 iterations.
- iteration 62: trace = 6.660936777950853 (8.33396e-07% change)
- linmin: converged after 4 iterations.
- iteration 63: trace = 6.660936765941797 (1.80291e-07% change)
- linmin: converged after 2 iterations.
- iteration 64: trace = 6.660936755015155 (1.64041e-07% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 6.660936746504003 (1.27777e-07% change)
- linmin: converged after 4 iterations.
- iteration 66: trace = 6.660936740708101 (8.70133e-08% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 6.660936737168779 (5.31355e-08% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 6.660936730929 (9.36772e-08% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 6.660936726671792 (6.39131e-08% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 6.660936725038566 (2.45195e-08% change)
- linmin: converged after 2 iterations.
- iteration 71: trace = 6.660936723757438 (1.92334e-08% change)
- linmin: converged after 6 iterations.
- iteration 72: trace = 6.660936722379987 (2.06795e-08% change)
- linmin: converged after 33 iterations.
- iteration 73: trace = 6.66093672137998 (1.5013e-08% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 6.660936720551226 (1.2442e-08% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 6.660936719202968 (2.02413e-08% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 6.660936718301423 (1.35348e-08% change)
- linmin: converged after 18 iterations.
- iteration 77: trace = 6.660936717516629 (1.1782e-08% change)
- linmin: converged after 15 iterations.
- iteration 78: trace = 6.660936716875789 (9.62086e-09% change)
- linmin: converged after 25 iterations.
- iteration 79: trace = 6.660936716382007 (7.4131e-09% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 6.660936716199179 (2.74479e-09% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 6.660936715851733 (5.21617e-09% change)
- linmin: converged after 22 iterations.
- iteration 82: trace = 6.660936715504791 (5.20861e-09% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 6.660936715305027 (2.99903e-09% change)
- linmin: converged after 27 iterations.
- iteration 84: trace = 6.66093671508835 (3.25296e-09% change)
- linmin: converged after 5 iterations.
- iteration 85: trace = 6.660936714937364 (2.26674e-09% change)
- linmin: converged after 9 iterations.
- iteration 86: trace = 6.660936714833896 (1.55336e-09% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 6.660936714747509 (1.29692e-09% change)
- linmin: converged after 6 iterations.
- iteration 88: trace = 6.660936714695935 (7.74273e-10% change)
- linmin: converged after 6 iterations.
- iteration 89: trace = 6.660936714617487 (1.17772e-09% change)
- linmin: converged after 18 iterations.
- iteration 90: trace = 6.66093671457714 (6.0573e-10% change)
- linmin: converged after 7 iterations.
- iteration 91: trace = 6.660936714542649 (5.17818e-10% change)
- linmin: converged after 19 iterations.
- iteration 92: trace = 6.66093671452329 (2.90631e-10% change)
- linmin: converged after 6 iterations.
- iteration 93: trace = 6.660936714512652 (1.59703e-10% change)
- linmin: converged after 23 iterations.
- iteration 94: trace = 6.660936714494253 (2.7623e-10% change)
- linmin: converged after 4 iterations.
- iteration 95: trace = 6.660936714476417 (2.67763e-10% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 6.660936714462952 (2.02146e-10% change)
- linmin: converged after 6 iterations.
- iteration 97: trace = 6.660936714455913 (1.05686e-10% change)
- linmin: converged after 3 iterations.
- iteration 98: trace = 6.660936714447594 (1.24888e-10% change)
- linmin: converged after 4 iterations.
- iteration 99: trace = 6.660936714441473 (9.18989e-11% change)
-Finished solving for bands 1 to 8 after 99 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532
-elapsed time for k point: 0.623504638671875
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 6.828693365824004 (0.258209% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.81491531333085 (0.201971% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.803492943791591 (0.167749% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.798487715310334 (0.0735956% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.793362049054725 (0.0754226% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.785739546110888 (0.112268% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.782649098280649 (0.0455536% change)
- large trace change predicted (0.100602%)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.775937084960444 (0.0990076% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.767502319495193 (0.124559% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 6.763226777760307 (0.0631975% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.757059804096025 (0.0912255% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 6.751376539552863 (0.0841439% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 6.749201093205061 (0.0322275% change)
- large trace change predicted (0.0987653%)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.742591395271164 (0.097981% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.740640520736622 (0.0289378% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 6.737712722144593 (0.0434445% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 6.73452098326382 (0.0473825% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 6.732582978654195 (0.0287813% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 6.729242279218445 (0.0496322% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 6.728109380356157 (0.0168369% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 6.726644100330462 (0.0217809% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 6.725872586664417 (0.0114702% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.725359747865309 (0.00762516% change)
- linmin: converged after 21 iterations.
- iteration 24: trace = 6.724756270469366 (0.00897356% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 6.724231366871892 (0.00780585% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.723530396492713 (0.0104251% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.723053589910712 (0.00709186% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.722658831569981 (0.00587188% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 6.722318025801377 (0.00506964% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.722110957479178 (0.00308036% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.721805734272037 (0.00454069% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.721654561005488 (0.00224902% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 6.721517311503868 (0.00204192% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.721358449047066 (0.00236352% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.721272068097353 (0.00128518% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 6.721179708634331 (0.00137415% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 6.721123311312419 (0.000839102% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 6.721064014980577 (0.000882242% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 6.720970932018229 (0.00138495% change)
- linmin: converged after 6 iterations.
- iteration 40: trace = 6.720931124316433 (0.000592293% change)
- large trace change predicted (0.00161295%)
- linmin: converged after 3 iterations.
- iteration 41: trace = 6.720822629671658 (0.00161429% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 6.72079846265409 (0.000359585% change)
- large trace change predicted (0.00072696%)
- linmin: converged after 5 iterations.
- iteration 43: trace = 6.720749736141956 (0.000725013% change)
- linmin: converged after 6 iterations.
- iteration 44: trace = 6.72072260233406 (0.000403733% change)
- linmin: converged after 9 iterations.
- iteration 45: trace = 6.72070519794796 (0.000258966% change)
- large trace change predicted (0.000642169%)
- linmin: converged after 6 iterations.
- iteration 46: trace = 6.720662129158626 (0.000640839% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.720647159202968 (0.000222745% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 6.720620434442544 (0.000397652% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 6.720599312394453 (0.000314288% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 6.720588138740021 (0.00016626% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 6.720572437757358 (0.000233625% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 6.720560502977415 (0.000177586% change)
- linmin: converged after 5 iterations.
- iteration 53: trace = 6.720550779021665 (0.00014469% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 6.72054201605287 (0.000130391% change)
- linmin: converged after 5 iterations.
- iteration 55: trace = 6.720538072124155 (5.86847e-05% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 6.720533815636847 (6.33355e-05% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 6.720531117060512 (4.01542e-05% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 6.720527587293265 (5.25222e-05% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 6.720523743289104 (5.7198e-05% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 6.720520452342011 (4.89686e-05% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 6.720515636146466 (7.16641e-05% change)
- linmin: converged after 11 iterations.
- iteration 62: trace = 6.720513695801111 (2.8872e-05% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 6.720511339817818 (3.50566e-05% change)
- linmin: converged after 2 iterations.
- iteration 64: trace = 6.720510233758202 (1.6458e-05% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 6.7205095257317 (1.05353e-05% change)
- linmin: converged after 2 iterations.
- iteration 66: trace = 6.720508403500634 (1.66986e-05% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 6.720507795705634 (9.04388e-06% change)
- large trace change predicted (2.55121e-05%)
- linmin: converged after 4 iterations.
- iteration 68: trace = 6.720506081209342 (2.55114e-05% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 6.720505166233876 (1.36147e-05% change)
- resetting CG direction...
- linmin: converged after 4 iterations.
- iteration 70: trace = 6.720504632564524 (7.94091e-06% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 6.720503757921638 (1.30145e-05% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 6.720503155132286 (8.96941e-06% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 6.720502825006813 (4.91221e-06% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 6.720502267138848 (8.30099e-06% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 6.72050161821459 (9.65589e-06% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 6.720501329636397 (4.294e-06% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 6.720500923073919 (6.04959e-06% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 6.7205004497822 (7.04251e-06% change)
- linmin: converged after 3 iterations.
- iteration 79: trace = 6.720500091190194 (5.33579e-06% change)
- linmin: converged after 3 iterations.
- iteration 80: trace = 6.720499710770521 (5.66059e-06% change)
- linmin: converged after 7 iterations.
- iteration 81: trace = 6.720499408715081 (4.49454e-06% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 6.720499351491902 (8.51472e-07% change)
- linmin: converged after 7 iterations.
- iteration 83: trace = 6.720499245520994 (1.57683e-06% change)
- linmin: converged after 4 iterations.
- iteration 84: trace = 6.720499132663288 (1.67931e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 6.720498947976651 (2.74811e-06% change)
- linmin: converged after 8 iterations.
- iteration 86: trace = 6.720498868915341 (1.17642e-06% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 6.720498762222831 (1.58757e-06% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 6.720498674231538 (1.3093e-06% change)
- linmin: converged after 5 iterations.
- iteration 89: trace = 6.720498653875839 (3.0289e-07% change)
- linmin: converged after 4 iterations.
- iteration 90: trace = 6.720498625620474 (4.20436e-07% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 6.720498602840975 (3.38955e-07% change)
- linmin: converged after 18 iterations.
- iteration 92: trace = 6.720498591264342 (1.72259e-07% change)
- large trace change predicted (4.49888e-07%)
- linmin: converged after 4 iterations.
- iteration 93: trace = 6.720498561030472 (4.49875e-07% change)
- linmin: converged after 3 iterations.
- iteration 94: trace = 6.720498532165731 (4.29503e-07% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 6.720498516270226 (2.36523e-07% change)
- linmin: converged after 4 iterations.
- iteration 96: trace = 6.720498508965846 (1.08688e-07% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 6.720498499076913 (1.47146e-07% change)
- linmin: converged after 19 iterations.
- iteration 98: trace = 6.720498492691434 (9.5015e-08% change)
- linmin: converged after 7 iterations.
- iteration 99: trace = 6.720498490784987 (2.83676e-08% change)
- large trace change predicted (6.5941e-08%)
- linmin: converged after 10 iterations.
- iteration 100: trace = 6.720498486353334 (6.59423e-08% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 6.720498482665715 (5.48712e-08% change)
- linmin: converged after 12 iterations.
- iteration 102: trace = 6.720498480517313 (3.19679e-08% change)
- linmin: converged after 4 iterations.
- iteration 103: trace = 6.720498478115991 (3.57313e-08% change)
- linmin: converged after 4 iterations.
- iteration 104: trace = 6.720498474287696 (5.69645e-08% change)
- linmin: converged after 29 iterations.
- iteration 105: trace = 6.720498473541149 (1.11085e-08% change)
- large trace change predicted (2.47838e-08%)
- linmin: converged after 4 iterations.
- iteration 106: trace = 6.720498471875564 (2.47837e-08% change)
- linmin: converged after 4 iterations.
- iteration 107: trace = 6.720498471055208 (1.22068e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 6.720498470350883 (1.04803e-08% change)
- linmin: converged after 4 iterations.
- iteration 109: trace = 6.720498469397505 (1.41861e-08% change)
- linmin: converged after 5 iterations.
- iteration 110: trace = 6.720498468545252 (1.26814e-08% change)
- linmin: converged after 31 iterations.
- iteration 111: trace = 6.720498468272286 (4.0617e-09% change)
- large trace change predicted (9.26929e-09%)
- linmin: converged after 5 iterations.
- iteration 112: trace = 6.720498467649367 (9.26893e-09% change)
- linmin: converged after 4 iterations.
- iteration 113: trace = 6.720498466966988 (1.01537e-08% change)
- linmin: converged after 10 iterations.
- iteration 114: trace = 6.720498466587099 (5.65269e-09% change)
- linmin: converged after 8 iterations.
- iteration 115: trace = 6.720498466423583 (2.4331e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 6.72049846625117 (2.56547e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 6.720498466094205 (2.33562e-09% change)
- linmin: converged after 30 iterations.
- iteration 118: trace = 6.720498466028793 (9.73316e-10% change)
- large trace change predicted (2.31059e-09%)
- linmin: converged after 4 iterations.
- iteration 119: trace = 6.720498465873534 (2.31024e-09% change)
- linmin: converged after 10 iterations.
- iteration 120: trace = 6.720498465800697 (1.0838e-09% change)
- linmin: converged after 4 iterations.
- iteration 121: trace = 6.720498465753364 (7.04305e-10% change)
- linmin: converged after 18 iterations.
- iteration 122: trace = 6.720498465699117 (8.07191e-10% change)
- linmin: converged after 6 iterations.
- iteration 123: trace = 6.720498465620707 (1.16672e-09% change)
- linmin: converged after 4 iterations.
- iteration 124: trace = 6.720498465592529 (4.1929e-10% change)
- linmin: converged after 4 iterations.
- iteration 125: trace = 6.72049846557295 (2.91333e-10% change)
- linmin: converged after 3 iterations.
- iteration 126: trace = 6.720498465558395 (2.16583e-10% change)
- linmin: converged after 12 iterations.
- iteration 127: trace = 6.720498465555194 (4.76303e-11% change)
-Finished solving for bands 1 to 8 after 127 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808
-elapsed time for k point: 0.7993392944335938
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 6.805955352031835 (0.370679% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 6.786471645847239 (0.286685% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.766412309853988 (0.296016% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 6.762821497824874 (0.0530823% change)
- large trace change predicted (0.161507%)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.75155062614866 (0.166798% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.745349182879033 (0.0918943% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.741351558095389 (0.0592825% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 6.737815057785499 (0.0524736% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.736500260020686 (0.0195156% change)
- large trace change predicted (0.0500717%)
- linmin: converged after 3 iterations.
- iteration 10: trace = 6.733113218000609 (0.0502916% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.731523332423912 (0.0236157% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 6.729172145607876 (0.0349341% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.726626433151624 (0.0378381% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.725266955478946 (0.0202124% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 6.722631950808276 (0.0391883% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 6.721297259955682 (0.0198557% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.71879867059258 (0.0371811% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 6.717806207398143 (0.0147725% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.716974623076929 (0.0123796% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.71637301711614 (0.0089569% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 6.716154275586822 (0.00325689% change)
- large trace change predicted (0.0101656%)
- linmin: converged after 4 iterations.
- iteration 22: trace = 6.715471626096691 (0.0101648% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.71518347118853 (0.004291% change)
- large trace change predicted (0.0113969%)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.714417828794597 (0.0114023% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.714023678705928 (0.00587038% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.713806562251935 (0.00323383% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.713579668693027 (0.00337956% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.713511728607021 (0.00101199% change)
- large trace change predicted (0.0020878%)
- linmin: converged after 3 iterations.
- iteration 29: trace = 6.713371328352466 (0.00209133% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.713315046237599 (0.000838362% change)
- large trace change predicted (0.00185104%)
- linmin: converged after 4 iterations.
- iteration 31: trace = 6.713190941339971 (0.00184866% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.713118652377476 (0.00107683% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 6.713048703061627 (0.00104198% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 6.712960185520178 (0.0013186% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.712939421020381 (0.00030932% change)
- large trace change predicted (0.000713841%)
- linmin: converged after 3 iterations.
- iteration 36: trace = 6.712891502026764 (0.000713833% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 6.71288379616655 (0.000114792% change)
- large trace change predicted (0.000489822%)
- linmin: converged after 3 iterations.
- iteration 38: trace = 6.712850923731485 (0.000489693% change)
- linmin: converged after 6 iterations.
- iteration 39: trace = 6.712831944322497 (0.000282733% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 6.712819122549863 (0.000191004% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 6.712799137569486 (0.000297714% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 6.712794544864233 (6.84172e-05% change)
- large trace change predicted (0.000162524%)
- linmin: converged after 5 iterations.
- iteration 43: trace = 6.712783638493903 (0.000162472% change)
- linmin: converged after 11 iterations.
- iteration 44: trace = 6.712781295169769 (3.49084e-05% change)
- large trace change predicted (8.74419e-05%)
- linmin: converged after 4 iterations.
- iteration 45: trace = 6.712775425436074 (8.74412e-05% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 6.712773786932622 (2.44087e-05% change)
- large trace change predicted (5.15217e-05%)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.712770326994617 (5.15426e-05% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 6.712767502420244 (4.20776e-05% change)
- linmin: converged after 8 iterations.
- iteration 49: trace = 6.712766705641736 (1.18696e-05% change)
- large trace change predicted (4.49226e-05%)
- linmin: converged after 3 iterations.
- iteration 50: trace = 6.712763689647757 (4.49292e-05% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 6.712763102132034 (8.75222e-06% change)
- large trace change predicted (2.71658e-05%)
- linmin: converged after 2 iterations.
- iteration 52: trace = 6.71276127854624 (2.7166e-05% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 6.712760419286989 (1.28004e-05% change)
- linmin: converged after 7 iterations.
- iteration 54: trace = 6.712759718356282 (1.04418e-05% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 6.71275902216277 (1.03712e-05% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 6.71275884752382 (2.6016e-06% change)
- large trace change predicted (8.44755e-06%)
- linmin: converged after 4 iterations.
- iteration 57: trace = 6.712758280566021 (8.44597e-06% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 6.712758165037714 (1.72103e-06% change)
- large trace change predicted (5.84499e-06%)
- linmin: converged after 6 iterations.
- iteration 59: trace = 6.712757772742973 (5.84402e-06% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 6.712757572256018 (2.98666e-06% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 6.712757429161202 (2.13168e-06% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 6.712757251596218 (2.64519e-06% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 6.712757218513527 (4.92833e-07% change)
- large trace change predicted (1.75918e-06%)
- linmin: converged after 4 iterations.
- iteration 64: trace = 6.712757100419477 (1.75925e-06% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 6.712757077191751 (3.46024e-07% change)
- large trace change predicted (7.74689e-07%)
- linmin: converged after 7 iterations.
- iteration 66: trace = 6.712757025187551 (7.74707e-07% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 6.712756982435169 (6.36883e-07% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 6.712756959206528 (3.46037e-07% change)
- linmin: converged after 2 iterations.
- iteration 69: trace = 6.712756912967455 (6.88824e-07% change)
- resetting CG direction...
- linmin: converged after 24 iterations.
- iteration 70: trace = 6.712756900835401 (1.80731e-07% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 6.712756887602744 (1.97127e-07% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 6.712756883382651 (6.28668e-08% change)
- large trace change predicted (1.50453e-07%)
- linmin: converged after 3 iterations.
- iteration 73: trace = 6.712756873283277 (1.5045e-07% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 6.712756865378772 (1.17753e-07% change)
- linmin: converged after 21 iterations.
- iteration 75: trace = 6.712756859672806 (8.50018e-08% change)
- large trace change predicted (2.04409e-07%)
- linmin: converged after 6 iterations.
- iteration 76: trace = 6.712756845951316 (2.04409e-07% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 6.712756843609621 (3.48842e-08% change)
- large trace change predicted (1.27223e-07%)
- linmin: converged after 4 iterations.
- iteration 78: trace = 6.71275683506934 (1.27225e-07% change)
- linmin: converged after 3 iterations.
- iteration 79: trace = 6.712756830475133 (6.84399e-08% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 6.712756828633527 (2.74344e-08% change)
- large trace change predicted (5.49577e-08%)
- linmin: converged after 4 iterations.
- iteration 81: trace = 6.712756824944322 (5.49581e-08% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 6.712756821598436 (4.98437e-08% change)
- linmin: converged after 17 iterations.
- iteration 83: trace = 6.712756819482644 (3.1519e-08% change)
- linmin: converged after 10 iterations.
- iteration 84: trace = 6.712756817407787 (3.09092e-08% change)
- linmin: converged after 5 iterations.
- iteration 85: trace = 6.712756816739338 (9.95788e-09% change)
- large trace change predicted (2.35922e-08%)
- linmin: converged after 3 iterations.
- iteration 86: trace = 6.712756815155657 (2.35921e-08% change)
- linmin: converged after 4 iterations.
- iteration 87: trace = 6.712756814927111 (3.40465e-09% change)
- large trace change predicted (1.14616e-08%)
- linmin: converged after 18 iterations.
- iteration 88: trace = 6.712756814157732 (1.14614e-08% change)
- linmin: converged after 17 iterations.
- iteration 89: trace = 6.712756813635045 (7.78647e-09% change)
- linmin: converged after 14 iterations.
- iteration 90: trace = 6.71275681341351 (3.30022e-09% change)
- large trace change predicted (7.75074e-09%)
- linmin: converged after 25 iterations.
- iteration 91: trace = 6.712756812893209 (7.75092e-09% change)
- linmin: converged after 9 iterations.
- iteration 92: trace = 6.712756812760745 (1.97333e-09% change)
- large trace change predicted (5.88918e-09%)
- linmin: converged after 13 iterations.
- iteration 93: trace = 6.712756812365424 (5.8891e-09% change)
- linmin: converged after 3 iterations.
- iteration 94: trace = 6.712756812003807 (5.387e-09% change)
- linmin: converged after 7 iterations.
- iteration 95: trace = 6.712756811899509 (1.55373e-09% change)
- large trace change predicted (3.84346e-09%)
- linmin: converged after 11 iterations.
- iteration 96: trace = 6.712756811641516 (3.84332e-09% change)
- linmin: converged after 2 iterations.
- iteration 97: trace = 6.712756811536827 (1.55956e-09% change)
- linmin: converged after 4 iterations.
- iteration 98: trace = 6.712756811500308 (5.44014e-10% change)
- large trace change predicted (1.79942e-09%)
- linmin: converged after 7 iterations.
- iteration 99: trace = 6.712756811379516 (1.79944e-09% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 6.712756811259492 (1.788e-09% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 6.712756811223127 (5.41738e-10% change)
- linmin: converged after 10 iterations.
- iteration 102: trace = 6.712756811167312 (8.31475e-10% change)
- linmin: converged after 7 iterations.
- iteration 103: trace = 6.712756811117374 (7.43924e-10% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 6.712756811108303 (1.3513e-10% change)
- large trace change predicted (4.49877e-10%)
- linmin: converged after 4 iterations.
- iteration 105: trace = 6.712756811078102 (4.49901e-10% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 6.712756811070889 (1.07451e-10% change)
- large trace change predicted (2.43029e-10%)
- linmin: converged after 19 iterations.
- iteration 107: trace = 6.712756811054567 (2.4315e-10% change)
- linmin: converged after 9 iterations.
- iteration 108: trace = 6.71275681103773 (2.50824e-10% change)
- linmin: converged after 4 iterations.
- iteration 109: trace = 6.712756811022556 (2.26042e-10% change)
- linmin: converged after 4 iterations.
- iteration 110: trace = 6.712756811015986 (9.78844e-11% change)
-Finished solving for bands 1 to 8 after 110 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782
-elapsed time for k point: 0.6924033164978027
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.804447595323905 (0.075091% change)
- large trace change predicted (0.247841%)
- linmin: converged after 3 iterations.
- iteration 2: trace = 6.787509709560569 (0.249234% change)
- linmin: converged after 12 iterations.
- iteration 3: trace = 6.78416600758117 (0.0492747% change)
- large trace change predicted (0.154108%)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.773847328685956 (0.152215% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.77251991858013 (0.019598% change)
- large trace change predicted (0.0906904%)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.7662211737164 (0.0930477% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 6.765489412066492 (0.0108155% change)
- large trace change predicted (0.0789839%)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.759960406114532 (0.0817571% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 6.759700044533112 (0.0038516% change)
- large trace change predicted (0.0309309%)
- linmin: converged after 3 iterations.
- iteration 10: trace = 6.757604007969362 (0.0310126% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.757369187106947 (0.00347497% change)
- large trace change predicted (0.0247096%)
- linmin: converged after 5 iterations.
- iteration 12: trace = 6.755700380516066 (0.0246991% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.755504919641139 (0.00289332% change)
- large trace change predicted (0.012852%)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.754652206748955 (0.0126233% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 6.754115945082325 (0.00793946% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 6.753542779465762 (0.00848653% change)
- large trace change predicted (0.0199723%)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.752183335844688 (0.0201314% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 6.752084991574542 (0.00145649% change)
- large trace change predicted (0.0158811%)
- linmin: converged after 4 iterations.
- iteration 19: trace = 6.751015956392777 (0.0158339% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 6.750877686058918 (0.00204816% change)
- large trace change predicted (0.0154243%)
- linmin: converged after 3 iterations.
- iteration 21: trace = 6.749833216418178 (0.0154728% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 6.749728282010169 (0.00155463% change)
- large trace change predicted (0.0115024%)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.748952036441013 (0.0115011% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 6.748764551424209 (0.00277803% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.748476017419485 (0.00427545% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.748262776589692 (0.00315989% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 6.748165146398375 (0.00144676% change)
- large trace change predicted (0.00385788%)
- linmin: converged after 4 iterations.
- iteration 28: trace = 6.747905822884305 (0.00384295% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 6.747846612381974 (0.000877469% change)
- large trace change predicted (0.00317745%)
- linmin: converged after 4 iterations.
- iteration 30: trace = 6.747632836969705 (0.0031681% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 6.747606394525548 (0.000391878% change)
- large trace change predicted (0.00306597%)
- linmin: converged after 4 iterations.
- iteration 32: trace = 6.747399953171819 (0.00305952% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 6.747387722078511 (0.000181271% change)
- large trace change predicted (0.00242336%)
- linmin: converged after 4 iterations.
- iteration 34: trace = 6.747225018833506 (0.00241138% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.747193960227815 (0.000460318% change)
- large trace change predicted (0.00107856%)
- linmin: converged after 4 iterations.
- iteration 36: trace = 6.747121438334209 (0.00107485% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 6.7470997718898 (0.000321122% change)
- large trace change predicted (0.000751257%)
- linmin: converged after 4 iterations.
- iteration 38: trace = 6.747049150715911 (0.000750268% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 6.747008136779598 (0.000607881% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 6.746998870293799 (0.000137342% change)
- large trace change predicted (0.000631497%)
- linmin: converged after 3 iterations.
- iteration 41: trace = 6.746956262489844 (0.000631509% change)
- linmin: converged after 6 iterations.
- iteration 42: trace = 6.746953504893698 (4.08717e-05% change)
- large trace change predicted (0.000481256%)
- linmin: converged after 3 iterations.
- iteration 43: trace = 6.746921047716273 (0.000481065% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 6.746917366333847 (5.45639e-05% change)
- large trace change predicted (0.0002699%)
- linmin: converged after 5 iterations.
- iteration 45: trace = 6.746899160425827 (0.000269841% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 6.746895008381835 (6.15401e-05% change)
- large trace change predicted (0.00019307%)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.746881974266559 (0.000193187% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 6.746874481438184 (0.000111056% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 6.746868146557246 (9.38936e-05% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 6.746857504420103 (0.000157735% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 6.746855516675071 (2.94618e-05% change)
- large trace change predicted (0.000214718%)
- linmin: converged after 6 iterations.
- iteration 52: trace = 6.746841037554336 (0.000214606% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 6.746840193062241 (1.25169e-05% change)
- large trace change predicted (9.3173e-05%)
- linmin: converged after 3 iterations.
- iteration 54: trace = 6.746833909627384 (9.31316e-05% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 6.746833185015451 (1.074e-05% change)
- large trace change predicted (5.96415e-05%)
- linmin: converged after 3 iterations.
- iteration 56: trace = 6.746829162576902 (5.96197e-05% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 6.746828725834517 (6.4733e-06% change)
- large trace change predicted (2.46714e-05%)
- linmin: converged after 5 iterations.
- iteration 58: trace = 6.74682706211512 (2.46593e-05% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 6.746825889499674 (1.73803e-05% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 6.746825452545512 (6.47644e-06% change)
- large trace change predicted (2.95798e-05%)
- linmin: converged after 3 iterations.
- iteration 61: trace = 6.746823456681524 (2.95823e-05% change)
- linmin: converged after 7 iterations.
- iteration 62: trace = 6.746823127211622 (4.88333e-06% change)
- large trace change predicted (2.68474e-05%)
- linmin: converged after 5 iterations.
- iteration 63: trace = 6.746821315951441 (2.68461e-05% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 6.74682118432021 (1.95101e-06% change)
- large trace change predicted (1.52566e-05%)
- linmin: converged after 4 iterations.
- iteration 65: trace = 6.746820154908292 (1.52577e-05% change)
- linmin: converged after 7 iterations.
- iteration 66: trace = 6.746820081622887 (1.08622e-06% change)
- large trace change predicted (7.08718e-06%)
- linmin: converged after 3 iterations.
- iteration 67: trace = 6.746819603431781 (7.08765e-06% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 6.746819452732547 (2.23363e-06% change)
- linmin: converged after 7 iterations.
- iteration 69: trace = 6.74681925723311 (2.89765e-06% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 6.746819149107638 (1.60261e-06% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 6.746819008753461 (2.0803e-06% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 6.746818910253522 (1.45995e-06% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 6.746818745187227 (2.44658e-06% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 6.746818616830524 (1.90248e-06% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 6.746818399211371 (3.22551e-06% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 6.74681828538086 (1.68717e-06% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 6.746818109865201 (2.60146e-06% change)
- linmin: converged after 20 iterations.
- iteration 78: trace = 6.746818071152347 (5.73794e-07% change)
- large trace change predicted (1.5422e-06%)
- linmin: converged after 4 iterations.
- iteration 79: trace = 6.746817967105337 (1.54216e-06% change)
- linmin: converged after 8 iterations.
- iteration 80: trace = 6.746817914381793 (7.81458e-07% change)
- linmin: converged after 9 iterations.
- iteration 81: trace = 6.746817907083527 (1.08173e-07% change)
- large trace change predicted (1.24553e-06%)
- linmin: converged after 2 iterations.
- iteration 82: trace = 6.74681782304615 (1.24559e-06% change)
- linmin: converged after 13 iterations.
- iteration 83: trace = 6.74681781661431 (9.53314e-08% change)
- large trace change predicted (1.0668e-06%)
- linmin: converged after 8 iterations.
- iteration 84: trace = 6.746817744641013 (1.06677e-06% change)
- linmin: converged after 4 iterations.
- iteration 85: trace = 6.746817736393177 (1.22248e-07% change)
- large trace change predicted (5.15241e-07%)
- linmin: converged after 3 iterations.
- iteration 86: trace = 6.746817701631278 (5.15234e-07% change)
- linmin: converged after 5 iterations.
- iteration 87: trace = 6.746817697536646 (6.06898e-08% change)
- large trace change predicted (2.33444e-07%)
- linmin: converged after 4 iterations.
- iteration 88: trace = 6.746817681786828 (2.33441e-07% change)
- linmin: converged after 5 iterations.
- iteration 89: trace = 6.746817679575117 (3.27815e-08% change)
- large trace change predicted (2.03086e-07%)
- linmin: converged after 3 iterations.
- iteration 90: trace = 6.746817665873402 (2.03084e-07% change)
- linmin: converged after 21 iterations.
- iteration 91: trace = 6.746817664988518 (1.31156e-08% change)
- large trace change predicted (1.38685e-07%)
- linmin: converged after 7 iterations.
- iteration 92: trace = 6.746817655631772 (1.38684e-07% change)
- linmin: converged after 3 iterations.
- iteration 93: trace = 6.746817654085186 (2.29232e-08% change)
- large trace change predicted (1.18599e-07%)
- linmin: converged after 8 iterations.
- iteration 94: trace = 6.746817646083493 (1.186e-07% change)
- linmin: converged after 13 iterations.
- iteration 95: trace = 6.746817640462645 (8.33111e-08% change)
- linmin: converged after 7 iterations.
- iteration 96: trace = 6.746817637625213 (4.20559e-08% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 6.74681763331078 (6.39477e-08% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 6.746817629968001 (4.9546e-08% change)
- linmin: converged after 11 iterations.
- iteration 99: trace = 6.7468176261558 (5.65037e-08% change)
- linmin: converged after 7 iterations.
- iteration 100: trace = 6.746817625992414 (2.42167e-09% change)
- large trace change predicted (2.59342e-08%)
- linmin: converged after 11 iterations.
- iteration 101: trace = 6.746817624242672 (2.59343e-08% change)
- linmin: converged after 20 iterations.
- iteration 102: trace = 6.746817624100168 (2.11216e-09% change)
- large trace change predicted (1.59034e-08%)
- linmin: converged after 4 iterations.
- iteration 103: trace = 6.746817623027193 (1.59034e-08% change)
- linmin: converged after 4 iterations.
- iteration 104: trace = 6.74681762290797 (1.7671e-09% change)
- large trace change predicted (1.6433e-08%)
- linmin: converged after 19 iterations.
- iteration 105: trace = 6.746817621799271 (1.64329e-08% change)
- linmin: converged after 33 iterations.
- iteration 106: trace = 6.74681762171291 (1.28003e-09% change)
- large trace change predicted (1.75521e-08%)
- linmin: converged after 4 iterations.
- iteration 107: trace = 6.746817620528712 (1.75519e-08% change)
- linmin: converged after 6 iterations.
- iteration 108: trace = 6.74681762045374 (1.11122e-09% change)
- large trace change predicted (1.18806e-08%)
- linmin: converged after 22 iterations.
- iteration 109: trace = 6.746817619652177 (1.18806e-08% change)
- linmin: converged after 6 iterations.
- iteration 110: trace = 6.746817619405686 (3.65344e-09% change)
- linmin: converged after 3 iterations.
- iteration 111: trace = 6.746817619222378 (2.71695e-09% change)
- linmin: converged after 22 iterations.
- iteration 112: trace = 6.746817619074591 (2.19048e-09% change)
- linmin: converged after 2 iterations.
- iteration 113: trace = 6.746817619026851 (7.07587e-10% change)
- large trace change predicted (3.27373e-09%)
- linmin: converged after 4 iterations.
- iteration 114: trace = 6.746817618805972 (3.27383e-09% change)
- linmin: converged after 4 iterations.
- iteration 115: trace = 6.746817618788889 (2.53204e-10% change)
- large trace change predicted (2.65445e-09%)
- linmin: converged after 4 iterations.
- iteration 116: trace = 6.746817618609805 (2.65434e-09% change)
- linmin: converged after 18 iterations.
- iteration 117: trace = 6.746817618591581 (2.7012e-10% change)
- large trace change predicted (1.0326e-09%)
- linmin: converged after 12 iterations.
- iteration 118: trace = 6.746817618521913 (1.0326e-09% change)
- linmin: converged after 10 iterations.
- iteration 119: trace = 6.746817618511382 (1.5609e-10% change)
- large trace change predicted (1.35052e-09%)
- linmin: converged after 2 iterations.
- iteration 120: trace = 6.746817618420272 (1.3504e-09% change)
- linmin: converged after 18 iterations.
- iteration 121: trace = 6.746817618406766 (2.00191e-10% change)
- large trace change predicted (1.7203e-09%)
- linmin: converged after 10 iterations.
- iteration 122: trace = 6.746817618290709 (1.72017e-09% change)
- linmin: converged after 11 iterations.
- iteration 123: trace = 6.746817618281478 (1.36831e-10% change)
- large trace change predicted (1.19037e-09%)
- linmin: converged after 4 iterations.
- iteration 124: trace = 6.74681761820117 (1.1903e-09% change)
- linmin: converged after 16 iterations.
- iteration 125: trace = 6.746817618186881 (2.11789e-10% change)
- linmin: converged after 15 iterations.
- iteration 126: trace = 6.74681761816829 (2.75557e-10% change)
- linmin: converged after 11 iterations.
- iteration 127: trace = 6.746817618151576 (2.47728e-10% change)
- linmin: converged after 6 iterations.
- iteration 128: trace = 6.746817618140278 (1.67464e-10% change)
- linmin: converged after 13 iterations.
- iteration 129: trace = 6.746817618132886 (1.09554e-10% change)
- linmin: converged after 3 iterations.
- iteration 130: trace = 6.746817618121986 (1.61567e-10% change)
- linmin: converged after 2 iterations.
- iteration 131: trace = 6.746817618106294 (2.32576e-10% change)
- linmin: converged after 5 iterations.
- iteration 132: trace = 6.746817618105011 (1.90226e-11% change)
-Finished solving for bands 1 to 8 after 132 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663
-elapsed time for k point: 0.8298492431640625
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 6.925814500596418 (0.213094% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 6.912656408360107 (0.190167% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 6.904258247585227 (0.121563% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 6.896682475678196 (0.109786% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 6.893477598605052 (0.0464806% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.89027467957257 (0.0464738% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.887461836997099 (0.0408317% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.882497275426465 (0.0721071% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.879290874293486 (0.0465986% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.875156897538091 (0.0601111% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.872798201194945 (0.0343134% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 6.870794994806168 (0.0291511% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.868395881036607 (0.0349237% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.86621439556751 (0.0317663% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.864840060452693 (0.0200179% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 6.864049033521961 (0.0115235% change)
- large trace change predicted (0.0249855%)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.862313276187908 (0.0252909% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.860715224253143 (0.0232901% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 6.859968809484593 (0.0108801% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.859391947998565 (0.00840945% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 6.858827502382783 (0.00822914% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 6.858164410591376 (0.00966818% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 6.857406145261944 (0.011057% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.856832784686063 (0.00836154% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.856491556212852 (0.0049766% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 6.856252194382823 (0.00349109% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.856048890634965 (0.00296528% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 6.855800374166336 (0.00362484% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 6.855651394979553 (0.00217306% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 6.855512431528354 (0.00202701% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.855355716860478 (0.00228599% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 6.855230958647358 (0.00181988% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 6.855155357961117 (0.00110282% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 6.855094916541149 (0.000881697% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.85502521717437 (0.00101676% change)
- linmin: converged after 7 iterations.
- iteration 36: trace = 6.854917688010056 (0.00156863% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 6.854865488480574 (0.000761493% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 6.854810981191307 (0.000795165% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 6.854754429052387 (0.000825003% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 6.854698860222133 (0.000810664% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 6.854636654728656 (0.000907491% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 6.854585360152608 (0.000748322% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 6.854557541681724 (0.000405838% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 6.854534987637432 (0.000329038% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 6.854507849304162 (0.000395919% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 6.854474000119207 (0.000493825% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.854448910897645 (0.000366028% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 6.854430742783726 (0.000265056% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 6.854409551795755 (0.000309158% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 6.854386819143956 (0.000331651% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 6.854372356342974 (0.000211001% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 6.854363722046957 (0.000125968% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 6.854355940080093 (0.000113533% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 6.854348218303488 (0.000112655% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 6.85434181489553 (9.34212e-05% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 6.854336867231474 (7.21829e-05% change)
- linmin: converged after 6 iterations.
- iteration 57: trace = 6.854332981170005 (5.66949e-05% change)
- linmin: converged after 4 iterations.
- iteration 58: trace = 6.854328856284635 (6.01793e-05% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 6.854325493270705 (4.90641e-05% change)
- linmin: converged after 2 iterations.
- iteration 60: trace = 6.854320731041433 (6.94777e-05% change)
- linmin: converged after 2 iterations.
- iteration 61: trace = 6.854317900614725 (4.12941e-05% change)
- linmin: converged after 4 iterations.
- iteration 62: trace = 6.854316466541417 (2.09222e-05% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 6.854314812325643 (2.41339e-05% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 6.854312707976328 (3.07011e-05% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 6.854310570267851 (3.11878e-05% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 6.854309275647925 (1.88877e-05% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 6.854307864026026 (2.05947e-05% change)
- linmin: converged after 5 iterations.
- iteration 68: trace = 6.854306225836385 (2.39001e-05% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 6.854304757597444 (2.14207e-05% change)
- resetting CG direction...
- linmin: converged after 7 iterations.
- iteration 70: trace = 6.85430429181651 (6.79545e-06% change)
- linmin: converged after 2 iterations.
- iteration 71: trace = 6.854303980839092 (4.53697e-06% change)
- linmin: converged after 2 iterations.
- iteration 72: trace = 6.854303707007329 (3.99503e-06% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 6.854303306237795 (5.84698e-06% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 6.854303028457227 (4.05264e-06% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 6.854302857018638 (2.50118e-06% change)
- linmin: converged after 2 iterations.
- iteration 76: trace = 6.854302716414224 (2.05133e-06% change)
- linmin: converged after 5 iterations.
- iteration 77: trace = 6.854302589324328 (1.85416e-06% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 6.854302422020374 (2.44086e-06% change)
- linmin: converged after 2 iterations.
- iteration 79: trace = 6.854302178650507 (3.55061e-06% change)
- linmin: converged after 2 iterations.
- iteration 80: trace = 6.854302043160593 (1.97671e-06% change)
- linmin: converged after 5 iterations.
- iteration 81: trace = 6.854301959862691 (1.21526e-06% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 6.854301838190406 (1.77512e-06% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 6.854301701143552 (1.99943e-06% change)
- linmin: converged after 5 iterations.
- iteration 84: trace = 6.854301574127346 (1.85309e-06% change)
- linmin: converged after 4 iterations.
- iteration 85: trace = 6.854301492731233 (1.18752e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 6.854301369172781 (1.80264e-06% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 6.854301206108594 (2.37901e-06% change)
- linmin: converged after 8 iterations.
- iteration 88: trace = 6.854301115047358 (1.32853e-06% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 6.854301061403404 (7.82632e-07% change)
- linmin: converged after 7 iterations.
- iteration 90: trace = 6.854301010580798 (7.4147e-07% change)
- linmin: converged after 4 iterations.
- iteration 91: trace = 6.854300954169966 (8.22999e-07% change)
- linmin: converged after 7 iterations.
- iteration 92: trace = 6.854300910079177 (6.43257e-07% change)
- linmin: converged after 16 iterations.
- iteration 93: trace = 6.854300884305875 (3.76016e-07% change)
- linmin: converged after 2 iterations.
- iteration 94: trace = 6.854300873282439 (1.60825e-07% change)
- linmin: converged after 19 iterations.
- iteration 95: trace = 6.85430086333042 (1.45194e-07% change)
- linmin: converged after 8 iterations.
- iteration 96: trace = 6.854300852297724 (1.6096e-07% change)
- linmin: converged after 4 iterations.
- iteration 97: trace = 6.854300845288805 (1.02256e-07% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 6.854300839717113 (8.12875e-08% change)
- linmin: converged after 2 iterations.
- iteration 99: trace = 6.85430083316451 (9.55984e-08% change)
- linmin: converged after 25 iterations.
- iteration 100: trace = 6.854300825010949 (1.18955e-07% change)
- linmin: converged after 4 iterations.
- iteration 101: trace = 6.854300821499368 (5.12318e-08% change)
- linmin: converged after 4 iterations.
- iteration 102: trace = 6.854300819427277 (3.02305e-08% change)
- linmin: converged after 10 iterations.
- iteration 103: trace = 6.854300816199123 (4.70968e-08% change)
- linmin: converged after 6 iterations.
- iteration 104: trace = 6.854300810980634 (7.61345e-08% change)
- linmin: converged after 3 iterations.
- iteration 105: trace = 6.854300805509967 (7.98136e-08% change)
- linmin: converged after 2 iterations.
- iteration 106: trace = 6.854300800803374 (6.86663e-08% change)
- linmin: converged after 3 iterations.
- iteration 107: trace = 6.854300798635795 (3.16236e-08% change)
- linmin: converged after 6 iterations.
- iteration 108: trace = 6.854300795765834 (4.1871e-08% change)
- large trace change predicted (8.5378e-08%)
- linmin: converged after 2 iterations.
- iteration 109: trace = 6.854300789913748 (8.53783e-08% change)
- linmin: converged after 3 iterations.
- iteration 110: trace = 6.854300784491166 (7.91121e-08% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 6.854300782610951 (2.74312e-08% change)
- linmin: converged after 3 iterations.
- iteration 112: trace = 6.854300781013686 (2.33031e-08% change)
- linmin: converged after 5 iterations.
- iteration 113: trace = 6.854300777960276 (4.45474e-08% change)
- linmin: converged after 11 iterations.
- iteration 114: trace = 6.854300776068537 (2.75993e-08% change)
- linmin: converged after 2 iterations.
- iteration 115: trace = 6.85430077514526 (1.347e-08% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 6.854300773914987 (1.79489e-08% change)
- linmin: converged after 17 iterations.
- iteration 117: trace = 6.854300773064537 (1.24075e-08% change)
- linmin: converged after 14 iterations.
- iteration 118: trace = 6.854300772502087 (8.2058e-09% change)
- linmin: converged after 21 iterations.
- iteration 119: trace = 6.854300772109052 (5.73414e-09% change)
- linmin: converged after 4 iterations.
- iteration 120: trace = 6.854300771873268 (3.43994e-09% change)
- linmin: converged after 3 iterations.
- iteration 121: trace = 6.854300771710194 (2.37915e-09% change)
- linmin: converged after 6 iterations.
- iteration 122: trace = 6.854300771427565 (4.12338e-09% change)
- linmin: converged after 4 iterations.
- iteration 123: trace = 6.854300771301659 (1.83688e-09% change)
- linmin: converged after 4 iterations.
- iteration 124: trace = 6.854300771230674 (1.03563e-09% change)
- linmin: converged after 10 iterations.
- iteration 125: trace = 6.854300771170164 (8.82801e-10% change)
- linmin: converged after 3 iterations.
- iteration 126: trace = 6.854300771103524 (9.72237e-10% change)
- linmin: converged after 11 iterations.
- iteration 127: trace = 6.854300771047175 (8.22106e-10% change)
- linmin: converged after 3 iterations.
- iteration 128: trace = 6.854300771013627 (4.89449e-10% change)
- linmin: converged after 5 iterations.
- iteration 129: trace = 6.85430077098893 (3.60309e-10% change)
- linmin: converged after 7 iterations.
- iteration 130: trace = 6.854300770974116 (2.16126e-10% change)
- linmin: converged after 3 iterations.
- iteration 131: trace = 6.854300770966613 (1.09456e-10% change)
- linmin: converged after 2 iterations.
- iteration 132: trace = 6.854300770959935 (9.7431e-11% change)
-Finished solving for bands 2 to 8 after 132 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597
-elapsed time for k point: 0.6836731433868408
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037401 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4732823234872291 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290618 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.6301802646818523 at Vector3<0.5, 0.5, 0.0> to 0.8037365323031586 at Vector3<0.5, 0.0, 0.0>
-Band 4 range: 0.7017932556977584 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711523 at Vector3<0.5, 0.1, 0.0>
-Band 5 range: 0.9047498485810708 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007138 at Vector3<0.5, 0.5, 0.0>
-Band 6 range: 1.0077925606078892 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.1815403744341735 at Vector3<0.0, 0.0, 0.0>
-Band 7 range: 1.1224242519757037 at Vector3<0.2, 0.0, 0.0> to 1.235156767923532 at Vector3<0.3, 0.3, 0.0>
-Band 8 range: 1.2059728636717484 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605643 at Vector3<0.30000000000000004, 0.0, 0.0>
-Gap from band 1 (0.4165291233037401) to band 2 (0.4732823234872291), 12.756230634740582%
-Gap from band 4 (0.8863448167711523) to band 5 (0.9047498485810708), 2.055171305677368%
-total elapsed time for run: 13.53028655052185
-done
-mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill"
-Outputting /tmp/meepg15Lzl/test_run_te_with_mu_material-0-mu.h5...
-mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill"
-./tmp/meepg15Lzl/test_run_te_with_mu_material-0: 13.54s
-
-/tmp/meepg15Lzl/test_run_tm-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0014109611511230469
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 16 iterations.
- iteration 1: trace = 13.34219610907316 (195.048% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 5.483795574134645 (83.4846% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 4.748523532084566 (14.3716% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 4.479228674664691 (5.83663% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.407766153594937 (1.60825% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.393474956211726 (0.324754% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.387914820096039 (0.126635% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.384214110536306 (0.0843743% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.382673979920479 (0.0351352% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 4.381187024151515 (0.0339338% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 4.378592064872483 (0.0592471% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.375630652773514 (0.0676568% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.374037327479996 (0.0364202% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.373782477119388 (0.0058266% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.373742613479035 (0.000911427% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 4.373730192660378 (0.000283986% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 4.373724731090828 (0.000124872% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.373723431190648 (2.97207e-05% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 4.373722977266439 (1.03784e-05% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 4.373722547638314 (9.82294e-06% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 4.373721986616824 (1.28271e-05% change)
- linmin: converged after 8 iterations.
- iteration 22: trace = 4.373721450686105 (1.22534e-05% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 4.373721224632515 (5.16845e-06% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 4.373721180253412 (1.01468e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 4.373721172520035 (1.76815e-07% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 4.373721170365219 (4.92674e-08% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 4.373721169530104 (1.90939e-08% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 4.373721169259862 (6.17878e-09% change)
- linmin: converged after 28 iterations.
- iteration 29: trace = 4.373721169186911 (1.66793e-09% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 4.373721169145532 (9.4609e-10% change)
- linmin: converged after 11 iterations.
- iteration 31: trace = 4.373721169066987 (1.79584e-09% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 4.373721168966431 (2.2991e-09% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 4.373721168940524 (5.92319e-10% change)
- linmin: converged after 6 iterations.
- iteration 34: trace = 4.373721168933659 (1.56974e-10% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 4.37372116892797 (1.30067e-10% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 4.373721168920043 (1.81241e-10% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 4.373721168904344 (3.58949e-10% change)
- large trace change predicted (9.95405e-10%)
- linmin: converged after 5 iterations.
- iteration 38: trace = 4.373721168860811 (9.95315e-10% change)
- large trace change predicted (4.53523e-09%)
- linmin: converged after 6 iterations.
- iteration 39: trace = 4.373721168662423 (4.53591e-09% change)
- large trace change predicted (2.07011e-08%)
- linmin: converged after 3 iterations.
- iteration 40: trace = 4.373721167757034 (2.07007e-08% change)
- large trace change predicted (8.12557e-08%)
- linmin: converged after 4 iterations.
- iteration 41: trace = 4.373721164203222 (8.12537e-08% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 4.37372115830691 (1.34812e-07% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 4.373721154436483 (8.84928e-08% change)
- linmin: converged after 11 iterations.
- iteration 44: trace = 4.373721151274946 (7.22848e-08% change)
- large trace change predicted (2.03287e-07%)
- linmin: converged after 6 iterations.
- iteration 45: trace = 4.373721142383832 (2.03285e-07% change)
- large trace change predicted (4.92802e-07%)
- linmin: converged after 6 iterations.
- iteration 46: trace = 4.373721120833393 (4.92725e-07% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 4.37372107793805 (9.80752e-07% change)
- large trace change predicted (2.055e-06%)
- linmin: converged after 6 iterations.
- iteration 48: trace = 4.373720988609533 (2.04239e-06% change)
- linmin: converged after 6 iterations.
- iteration 49: trace = 4.373720903699593 (1.94137e-06% change)
- linmin: converged after 9 iterations.
- iteration 50: trace = 4.373720867145784 (8.3576e-07% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 4.37372085603617 (2.54008e-07% change)
- linmin: converged after 9 iterations.
- iteration 52: trace = 4.373720853582015 (5.61114e-08% change)
- linmin: converged after 5 iterations.
- iteration 53: trace = 4.373720853002698 (1.32454e-08% change)
- linmin: converged after 7 iterations.
- iteration 54: trace = 4.373720852585022 (9.54968e-09% change)
- linmin: converged after 5 iterations.
- iteration 55: trace = 4.373720851986538 (1.36836e-08% change)
- linmin: converged after 8 iterations.
- iteration 56: trace = 4.373720851520712 (1.06506e-08% change)
- linmin: converged after 4 iterations.
- iteration 57: trace = 4.373720851245481 (6.29284e-09% change)
- linmin: converged after 7 iterations.
- iteration 58: trace = 4.373720851095249 (3.43487e-09% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 4.373720851044093 (1.16963e-09% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 4.373720851034473 (2.19947e-10% change)
- linmin: converged after 5 iterations.
- iteration 61: trace = 4.373720851032822 (3.7751e-11% change)
-Finished solving for bands 2 to 8 after 61 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259
-elapsed time for k point: 0.16658401489257812
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.357909575996686 (1.16097% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.317128641663713 (0.94019% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.299320136589965 (0.413361% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.292732191285522 (0.15335% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.291500652316352 (0.028693% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.291042414673696 (0.0106784% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.290902808716371 (0.00325348% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 4.2908721193893 (0.000715221% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.29086322736101 (0.000207231% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.290859496337257 (8.69528e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.290858035134088 (3.40539e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.290857390244804 (1.50294e-05% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.290857285462815 (2.44198e-06% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.290857271945756 (3.1502e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.290857267538623 (1.0271e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 4.290857264553208 (6.95762e-08% change)
- linmin: converged after 11 iterations.
- iteration 17: trace = 4.290857263488306 (2.48179e-08% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.290857263235813 (5.88445e-09% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 4.290857263156709 (1.84354e-09% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 4.290857263115525 (9.59807e-10% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 4.290857263096176 (4.50935e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.290857263085615 (2.46136e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.290857263081678 (9.17394e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995
-elapsed time for k point: 0.07734823226928711
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 4.213083007783039 (0.515635% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.209110336657865 (0.0943382% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.208519740783887 (0.0140324% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.208361881259739 (0.00375102% change)
- linmin: converged after 9 iterations.
- iteration 5: trace = 4.208319555170494 (0.00100577% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.208309586621548 (0.000236877% change)
- linmin: converged after 20 iterations.
- iteration 7: trace = 4.208308119593188 (3.48603e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.208307969493156 (3.56675e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.2083079596792 (2.33204e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.208307958636428 (2.47789e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.208307958537226 (2.35728e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.208307958520758 (3.91314e-10% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.208307958519128 (3.87494e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959
-elapsed time for k point: 0.04478907585144043
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.153950019179923 (0.446607% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.15091918802987 (0.0729893% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.15050869675084 (0.00988965% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.150451660631781 (0.00137421% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 4.150445322388979 (0.000152712% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.150444374952527 (2.28273e-05% change)
- linmin: converged after 38 iterations.
- iteration 7: trace = 4.150444119567911 (6.15319e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.150444028145889 (2.2027e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.150444017167716 (2.64506e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.150444015934402 (2.97152e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.150444015836717 (2.35361e-09% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.150444015829235 (1.8027e-10% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.150444015828805 (1.03574e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025
-elapsed time for k point: 0.04490065574645996
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.123910812539464 (0.437379% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.120357431810314 (0.0862025% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.11975343523068 (0.0146599% change)
- linmin: converged after 12 iterations.
- iteration 4: trace = 4.119635726773534 (0.00285721% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.119609536145701 (0.000635753% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.119601717815895 (0.000189783% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.119598937494709 (6.74901e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.119598626308932 (7.55379e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.119598600539519 (6.25532e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.119598598763422 (4.31134e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.119598598629699 (3.24603e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.119598598622139 (1.83496e-10% change)
- linmin: converged after 9 iterations.
- iteration 13: trace = 4.119598598621693 (1.08446e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269
-elapsed time for k point: 0.04453921318054199
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.117165244646566 (0.467232% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.112183070107313 (0.121083% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.111188770166868 (0.0241823% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.110889360751742 (0.00728306% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 4.11080703996452 (0.00200253% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 4.110783674084841 (0.000568403% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.110777732801953 (0.000144529% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.110777279787365 (1.10202e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.110777245125225 (8.43202e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.110777242910481 (5.38765e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.110777242738061 (4.19433e-09% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.110777242727878 (2.47714e-10% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.110777242725122 (6.70437e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856
-elapsed time for k point: 0.04442000389099121
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.110059673681176 (0.898081% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.101196127928676 (0.215888% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.099627971489972 (0.0382439% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.099504340254176 (0.00301572% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.099491102143227 (0.00032292% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.099490015388635 (2.65095e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.099489970449423 (1.09621e-06% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.09948996603966 (1.07569e-07% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.099489964533704 (3.67352e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.099489964290493 (5.93271e-09% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.099489964275826 (3.57785e-10% change)
- linmin: converged after 16 iterations.
- iteration 12: trace = 4.0994899642748 (2.50237e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714
-elapsed time for k point: 0.04143977165222168
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.085144174621296 (0.762403% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.08011930367582 (0.123079% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.079494012385525 (0.0153265% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.079455619800634 (0.000941116% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.079453223619909 (5.87378e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.079452946245483 (6.7993e-06% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.07945290434498 (1.02711e-06% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.079452897007465 (1.79865e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.079452895879314 (2.76545e-08% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.079452895806834 (1.7767e-09% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.079452895803481 (8.21893e-11% change)
-Finished solving for bands 1 to 8 after 11 iterations.
-tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395
-elapsed time for k point: 0.038037776947021484
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.072736189550774 (0.634086% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.069415883231338 (0.0815584% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.068882752148268 (0.0131018% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.068777004347965 (0.00259897% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.068760919591241 (0.000395322% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.06875937327654 (3.80046e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.068759282973239 (2.21943e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.068759277104999 (1.44227e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.068759276275498 (2.03871e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.068759276139259 (3.34843e-09% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.068759276129624 (2.36803e-10% change)
- linmin: converged after 17 iterations.
- iteration 12: trace = 4.068759276129136 (1.19842e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203
-elapsed time for k point: 0.04112696647644043
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.08041013089164 (0.563614% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.077287055235417 (0.0765676% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.076189573111655 (0.0269206% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.075628903758915 (0.0137557% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.075534314324658 (0.00232088% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.075527488473313 (0.000167484% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.075526996525165 (1.20708e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.075526953563658 (1.05413e-06% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.075526950544544 (7.40791e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.075526949795472 (1.83798e-08% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.075526949476022 (7.83823e-09% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.075526949369352 (2.61734e-09% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.075526949350733 (4.56846e-10% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.075526949349669 (2.6108e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273
-elapsed time for k point: 0.04763054847717285
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.109437150043243 (0.504849% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.105335792815202 (0.0998532% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 4.100307330549152 (0.122561% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.093803283589705 (0.158749% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 4.092241780664407 (0.0381504% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.092157123982815 (0.00206873% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.092151257465511 (0.00014336% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.0921506669632 (1.44301e-05% change)
- linmin: converged after 29 iterations.
- iteration 9: trace = 4.092150601221075 (1.60654e-06% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.092150512656763 (2.16425e-06% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.09215044281785 (1.70666e-06% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.092150434447509 (2.04546e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.092150433678662 (1.87883e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.092150433621977 (1.38522e-09% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.092150433618236 (9.14191e-11% change)
-Finished solving for bands 1 to 8 after 15 iterations.
-tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351
-elapsed time for k point: 0.051015377044677734
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.126496078681969 (1.11623% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 4.089161341909401 (0.908868% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.060628566573646 (0.700209% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.050071416799578 (0.260326% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.047172154678076 (0.0716111% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.046719139224234 (0.011194% change)
- linmin: converged after 11 iterations.
- iteration 7: trace = 4.046656969292219 (0.00153632% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.046652828279984 (0.000102332% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 4.046652402979405 (1.05099e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.04665226257679 (3.4696e-06% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 4.046652203574181 (1.45806e-06% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.04665218541018 (4.48865e-07% change)
- linmin: converged after 23 iterations.
- iteration 13: trace = 4.046652183788301 (4.00795e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.046652183683065 (2.60056e-09% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.046652183677345 (1.41348e-10% change)
- linmin: converged after 16 iterations.
- iteration 16: trace = 4.046652183676483 (2.1312e-11% change)
-Finished solving for bands 1 to 8 after 16 iterations.
-tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991
-elapsed time for k point: 0.05426597595214844
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.050135770394939 (0.874564% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.045155903188745 (0.123031% change)
- linmin: converged after 7 iterations.
- iteration 3: trace = 4.04457112881917 (0.0144572% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.044524919705128 (0.0011425% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.044514961032788 (0.000246226% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.044513397485701 (3.86585e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.04451325570943 (3.5054e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.044513238601187 (4.22999e-07% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.044513236602917 (4.94069e-08% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.044513236418492 (4.55988e-09% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.044513236398149 (5.02974e-10% change)
- linmin: converged after 7 iterations.
- iteration 12: trace = 4.044513236396847 (3.21935e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446
-elapsed time for k point: 0.041252851486206055
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.118867255840204 (0.847851% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.114002611070052 (0.118176% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.113487291394074 (0.0125268% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.113430197532734 (0.00138798% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.113416441704805 (0.000334413% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.113415367601677 (2.61122e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.113415271030414 (2.34771e-06% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.113415260853634 (2.47405e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.113415259902214 (2.31297e-08% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.113415259769443 (3.22776e-09% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.113415259756536 (3.13778e-10% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.11341525975549 (2.54357e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551
-elapsed time for k point: 0.04122447967529297
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.250028477177 (0.917879% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.242313588668811 (0.18169% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.241112167052032 (0.028324% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.240834092995955 (0.00655685% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.240767169311717 (0.00157809% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.240753129287403 (0.000331073% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.240750094772398 (7.15561e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.240749691476934 (9.51e-06% change)
- linmin: converged after 33 iterations.
- iteration 9: trace = 4.240749647343285 (1.0407e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.240749642492671 (1.14381e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.240749642080627 (9.71629e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.240749642034733 (1.08221e-09% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.240749642029137 (1.31968e-10% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.240749642028246 (2.10067e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882
-elapsed time for k point: 0.0475921630859375
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.407939681690654 (1.14495% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.390606022122198 (0.394012% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.386367409936335 (0.0965848% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.384518225127845 (0.0421664% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.382809892382419 (0.0389704% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.380355369238089 (0.0560191% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.377811906462298 (0.0580821% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.375795817305982 (0.046063% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.374248315398593 (0.0353713% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.373812357837435 (0.00996695% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.373736281003573 (0.00173939% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.373725631015397 (0.000243499% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.373723713248079 (4.38475e-05% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 4.373723043717632 (1.5308e-05% change)
- linmin: converged after 9 iterations.
- iteration 15: trace = 4.373722607982313 (9.96257e-06% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 4.373722430078789 (4.06755e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 4.373722281618466 (3.39437e-06% change)
- large trace change predicted (8.38717e-06%)
- linmin: converged after 5 iterations.
- iteration 18: trace = 4.373721914772871 (8.38749e-06% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 4.373721775011068 (3.19549e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 4.373721750853678 (5.5233e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 4.373721743706459 (1.63413e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 4.373721741956021 (4.00217e-08% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 4.373721741656272 (6.8534e-09% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 4.37372174151351 (3.26409e-09% change)
- linmin: converged after 12 iterations.
- iteration 25: trace = 4.373721741466444 (1.0761e-09% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 4.373721741452075 (3.28549e-10% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 4.373721741432764 (4.41518e-10% change)
- large trace change predicted (8.94441e-10%)
- linmin: converged after 10 iterations.
- iteration 28: trace = 4.373721741393643 (8.94449e-10% change)
- linmin: converged after 12 iterations.
- iteration 29: trace = 4.373721741340017 (1.22611e-09% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 4.37372174131413 (5.91872e-10% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 4.37372174130407 (2.29999e-10% change)
- large trace change predicted (8.8515e-10%)
- linmin: converged after 4 iterations.
- iteration 32: trace = 4.373721741265362 (8.85026e-10% change)
- large trace change predicted (1.78977e-09%)
- linmin: converged after 3 iterations.
- iteration 33: trace = 4.373721741187082 (1.78977e-09% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 4.373721741036555 (3.44162e-09% change)
- large trace change predicted (3.16488e-08%)
- linmin: converged after 4 iterations.
- iteration 35: trace = 4.373721739652334 (3.16486e-08% change)
- large trace change predicted (1.81295e-07%)
- linmin: converged after 4 iterations.
- iteration 36: trace = 4.373721731723725 (1.81278e-07% change)
- large trace change predicted (7.42215e-07%)
- linmin: converged after 4 iterations.
- iteration 37: trace = 4.373721699293694 (7.41474e-07% change)
- large trace change predicted (1.81306e-06%)
- linmin: converged after 7 iterations.
- iteration 38: trace = 4.373721620557427 (1.80021e-06% change)
- large trace change predicted (3.99382e-06%)
- linmin: converged after 7 iterations.
- iteration 39: trace = 4.373721449599707 (3.90875e-06% change)
- linmin: converged after 16 iterations.
- iteration 40: trace = 4.373721351488157 (2.24321e-06% change)
- linmin: converged after 9 iterations.
- iteration 41: trace = 4.373721289289993 (1.42209e-06% change)
- linmin: converged after 7 iterations.
- iteration 42: trace = 4.373721192919876 (2.20339e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 4.373721122950544 (1.59977e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 4.37372102588002 (2.2194e-06% change)
- linmin: converged after 6 iterations.
- iteration 45: trace = 4.373720919585161 (2.43031e-06% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 4.373720871332154 (1.10325e-06% change)
- linmin: converged after 10 iterations.
- iteration 47: trace = 4.373720860378917 (2.50433e-07% change)
- linmin: converged after 13 iterations.
- iteration 48: trace = 4.373720857832792 (5.82142e-08% change)
- linmin: converged after 8 iterations.
- iteration 49: trace = 4.373720856551008 (2.93065e-08% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 4.373720854512562 (4.66067e-08% change)
- linmin: converged after 5 iterations.
- iteration 51: trace = 4.373720852662255 (4.23051e-08% change)
- linmin: converged after 18 iterations.
- iteration 52: trace = 4.373720851889837 (1.76604e-08% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 4.373720851692727 (4.50671e-09% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 4.373720851644104 (1.1117e-09% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 4.373720851631798 (2.81376e-10% change)
- linmin: converged after 19 iterations.
- iteration 56: trace = 4.37372085162005 (2.68603e-10% change)
- linmin: converged after 28 iterations.
- iteration 57: trace = 4.373720851604448 (3.56716e-10% change)
- linmin: converged after 16 iterations.
- iteration 58: trace = 4.373720851597927 (1.49095e-10% change)
- linmin: converged after 16 iterations.
- iteration 59: trace = 4.373720851594072 (8.81331e-11% change)
-Finished solving for bands 2 to 8 after 59 iterations.
-tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259
-.elapsed time for k point: 0.16035914421081543
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0>
-Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0>
-Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0>
-Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0>
-Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0>
-Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386%
-Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893%
-total elapsed time for run: 0.9891383647918701
-done
-/tmp/meepg15Lzl/test_run_tm-0: 0.99s
-
-/tmp/meepg15Lzl/test_set_eigenvectors-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013535022735595703
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14107251167297363
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.3937714099884033
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08740973472595215
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.08002853393554688
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09299993515014648
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14530587196350098
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.10954451560974121
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09413933753967285
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.08076930046081543
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07727360725402832
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07733917236328125
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.06092119216918945
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07065033912658691
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09667181968688965
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11305499076843262
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.24999117851257324
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 1.9735190868377686
-done
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013823509216308594
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.1411750316619873
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.39560866355895996
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08734703063964844
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.08014535903930664
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.0932164192199707
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14453744888305664
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.10948634147644043
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.0932159423828125
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.07988119125366211
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07660794258117676
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07671117782592773
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.060489654541015625
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07041263580322266
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.0964205265045166
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.1122884750366211
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.2504267692565918
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 1.9705710411071777
-done
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013606548309326172
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14075779914855957
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.39463067054748535
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.0868229866027832
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.08032608032226562
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09312248229980469
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.1440904140472412
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.10895895957946777
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09227514266967773
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.07990384101867676
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07675743103027344
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07635307312011719
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.06031513214111328
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07043194770812988
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09601283073425293
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11259078979492188
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-.elapsed time for k point: 0.2501077651977539
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 1.9660212993621826
-done
-/tmp/meepg15Lzl/test_set_eigenvectors-0: 5.91s
-
-/tmp/meepg15Lzl/test_sq_rods-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013649463653564453
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 1: trace = 16.67252686302908 (193.833% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.425605351690049 (76.7439% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.413529606638005 (14.6263% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.997870542994756 (6.69802% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.79224276091566 (3.48814% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 5.704204927742786 (1.53157% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.662063364719285 (0.74152% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.645383220801679 (0.295029% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.636808514863864 (0.152004% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.632389510950197 (0.0784262% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.630973803281849 (0.0251383% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.630304289828852 (0.0118905% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.629948267451506 (0.00632352% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 5.629707527279325 (0.00427616% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.629494146577414 (0.00379033% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.629334770611416 (0.00283113% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.629195179750856 (0.00247974% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.629089143354889 (0.0018837% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.629015210328871 (0.00131342% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.628955227218207 (0.00106561% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.628918234635336 (0.000657186% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.628892160266109 (0.000463223% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.628877918707712 (0.000253009% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.62887054067606 (0.000131075% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 5.628866521545895 (7.14021e-05% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.628864944361903 (2.80196e-05% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.628864428335529 (9.1675e-06% change)
- linmin: converged after 7 iterations.
- iteration 28: trace = 5.62886425401095 (3.09698e-06% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 5.628864199206571 (9.73631e-07% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.628864180871537 (3.25732e-07% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.628864174355813 (1.15756e-07% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.628864171803267 (4.53475e-08% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.628864170678066 (1.99898e-08% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.628864170196785 (8.55023e-09% change)
- linmin: converged after 15 iterations.
- iteration 35: trace = 5.628864169964668 (4.12368e-09% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.628864169778796 (3.30212e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.628864169602519 (3.13167e-09% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.62886416940592 (3.4927e-09% change)
- linmin: converged after 6 iterations.
- iteration 39: trace = 5.628864169253106 (2.71482e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.628864169153889 (1.76264e-09% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 5.628864169097572 (1.00051e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.628864169061677 (6.37692e-10% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.628864169036878 (4.40565e-10% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 5.628864169022913 (2.48093e-10% change)
- linmin: converged after 6 iterations.
- iteration 45: trace = 5.628864169016424 (1.15281e-10% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.628864169013057 (5.98182e-11% change)
-Finished solving for bands 2 to 8 after 46 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859
-elapsed time for k point: 0.12508654594421387
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 14 iterations.
- iteration 1: trace = 5.662598383811167 (0.236431% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.655498054240403 (0.125469% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.653351656918011 (0.0379596% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.652109656699427 (0.0219717% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.651455832959613 (0.0115685% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.650961670354926 (0.00874437% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.650673951221756 (0.00509164% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.650503338619175 (0.00301938% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.650430417719853 (0.00129053% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.650387262435861 (0.000763755% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 5.650369556589035 (0.000313357% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.650362805815968 (0.000119475% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.650360400668589 (4.25663e-05% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.650359822550923 (1.02315e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.650359570379916 (4.46292e-06% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.650359460721299 (1.94074e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.650359418358622 (7.49734e-07% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.650359402314912 (2.83941e-07% change)
- linmin: converged after 38 iterations.
- iteration 19: trace = 5.650359397610181 (8.32643e-08% change)
- linmin: converged after 13 iterations.
- iteration 20: trace = 5.650359395697382 (3.38527e-08% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.650359394584283 (1.96996e-08% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.650359393286076 (2.29757e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.650359391538196 (3.09339e-08% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.650359389901621 (2.89641e-08% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.650359388475083 (2.52469e-08% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.650359386379993 (3.70789e-08% change)
- large trace change predicted (9.58039e-08%)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.650359380966579 (9.58065e-08% change)
- near maximum in trace
- linmin: converged after 15 iterations.
- iteration 28: trace = 5.650291267622267 (0.00120548% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.650291192580686 (1.3281e-06% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.65029111828439 (1.31491e-06% change)
- linmin: converged after 6 iterations.
- iteration 31: trace = 5.650291044755035 (1.30134e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.650290972006891 (1.28751e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.650290900047981 (1.27354e-06% change)
- linmin: converged after 11 iterations.
- iteration 34: trace = 5.650290828881055 (1.25953e-06% change)
- linmin: converged after 5 iterations.
- iteration 35: trace = 5.650290758504497 (1.24554e-06% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.650290688913006 (1.23164e-06% change)
- linmin: converged after 5 iterations.
- iteration 37: trace = 5.650290620098408 (1.21789e-06% change)
- linmin: converged after 6 iterations.
- iteration 38: trace = 5.650290552050093 (1.20433e-06% change)
- linmin: converged after 18 iterations.
- iteration 39: trace = 5.650290484755575 (1.19099e-06% change)
- linmin: converged after 6 iterations.
- iteration 40: trace = 5.650290418200888 (1.1779e-06% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.650290352370963 (1.16507e-06% change)
- linmin: converged after 9 iterations.
- iteration 42: trace = 5.650290287249877 (1.15253e-06% change)
- linmin: converged after 13 iterations.
- iteration 43: trace = 5.650290222821092 (1.14027e-06% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 5.650290159067736 (1.12832e-06% change)
- linmin: converged after 8 iterations.
- iteration 45: trace = 5.650290095972685 (1.11667e-06% change)
- linmin: converged after 8 iterations.
- iteration 46: trace = 5.650290033518802 (1.10532e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.650289971688902 (1.09428e-06% change)
- linmin: converged after 5 iterations.
- iteration 48: trace = 5.650289910466009 (1.08354e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.650289849833287 (1.07309e-06% change)
- linmin: converged after 8 iterations.
- iteration 50: trace = 5.650289789774213 (1.06294e-06% change)
- linmin: converged after 13 iterations.
- iteration 51: trace = 5.650289730272561 (1.05307e-06% change)
- linmin: converged after 8 iterations.
- iteration 52: trace = 5.650289671296088 (1.04378e-06% change)
- linmin: converged after 6 iterations.
- iteration 53: trace = 5.650289612861914 (1.03418e-06% change)
- linmin: converged after 8 iterations.
- iteration 54: trace = 5.650289554938581 (1.02514e-06% change)
- linmin: converged after 5 iterations.
- iteration 55: trace = 5.650289497495159 (1.01665e-06% change)
- linmin: converged after 13 iterations.
- iteration 56: trace = 5.650289440549649 (1.00783e-06% change)
- linmin: converged after 6 iterations.
- iteration 57: trace = 5.650289384071982 (9.99554e-07% change)
- linmin: converged after 5 iterations.
- iteration 58: trace = 5.650289328048608 (9.91513e-07% change)
- linmin: converged after 11 iterations.
- iteration 59: trace = 5.650289272466417 (9.83705e-07% change)
- linmin: converged after 7 iterations.
- iteration 60: trace = 5.650289217312721 (9.76122e-07% change)
- linmin: converged after 8 iterations.
- iteration 61: trace = 5.65028916256365 (9.68961e-07% change)
- linmin: converged after 13 iterations.
- iteration 62: trace = 5.650289108230337 (9.61602e-07% change)
- linmin: converged after 5 iterations.
- iteration 63: trace = 5.650289054289503 (9.54656e-07% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.650289000730409 (9.479e-07% change)
- linmin: converged after 7 iterations.
- iteration 65: trace = 5.650288947538981 (9.41393e-07% change)
- linmin: converged after 7 iterations.
- iteration 66: trace = 5.650288894702843 (9.35105e-07% change)
- linmin: converged after 11 iterations.
- iteration 67: trace = 5.650288842216428 (9.28916e-07% change)
- linmin: converged after 5 iterations.
- iteration 68: trace = 5.65028879007867 (9.22745e-07% change)
- linmin: converged after 5 iterations.
- iteration 69: trace = 5.650288738271742 (9.1689e-07% change)
- resetting CG direction...
- large trace change predicted (0.0219511%)
- linmin: converged after 4 iterations.
- iteration 70: trace = 5.64903032302802 (0.0222742% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 5.648291212742171 (0.0130847% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.647952501326173 (0.00599689% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.647729842650739 (0.00394237% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.647486194152222 (0.00431419% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.647157356579553 (0.00582289% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.646835731077392 (0.00569551% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.646550214966825 (0.00505634% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.646220512186881 (0.00583918% change)
- large trace change predicted (0.0119209%)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.64551507554342 (0.0124947% change)
- large trace change predicted (0.0250175%)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.644058656681537 (0.0258011% change)
- linmin: converged after 7 iterations.
- iteration 81: trace = 5.642273131390932 (0.0316405% change)
- linmin: converged after 5 iterations.
- iteration 82: trace = 5.640697904059197 (0.0279222% change)
- linmin: converged after 7 iterations.
- iteration 83: trace = 5.63984485797904 (0.0151242% change)
- linmin: converged after 4 iterations.
- iteration 84: trace = 5.639288313336282 (0.00986857% change)
- linmin: converged after 4 iterations.
- iteration 85: trace = 5.638902602410139 (0.00683994% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.638726948718296 (0.00311508% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.638638858011665 (0.00156226% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.638595369382163 (0.000771264% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.638570484323941 (0.000441335% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.638555861747498 (0.000259332% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.638546191837316 (0.000171496% change)
- linmin: converged after 4 iterations.
- iteration 92: trace = 5.638539563345949 (0.000117557% change)
- linmin: converged after 3 iterations.
- iteration 93: trace = 5.638535838298758 (6.60641e-05% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.638534036457183 (3.19558e-05% change)
- linmin: converged after 4 iterations.
- iteration 95: trace = 5.638532920712363 (1.97879e-05% change)
- linmin: converged after 7 iterations.
- iteration 96: trace = 5.638532011416613 (1.61265e-05% change)
- linmin: converged after 3 iterations.
- iteration 97: trace = 5.638531072732994 (1.66477e-05% change)
- linmin: converged after 6 iterations.
- iteration 98: trace = 5.638530025006578 (1.85816e-05% change)
- linmin: converged after 3 iterations.
- iteration 99: trace = 5.638528496977349 (2.70998e-05% change)
- linmin: converged after 5 iterations.
- iteration 100: trace = 5.638526248322741 (3.98802e-05% change)
- linmin: converged after 5 iterations.
- iteration 101: trace = 5.638523965074012 (4.04937e-05% change)
- linmin: converged after 5 iterations.
- iteration 102: trace = 5.638521697364039 (4.02182e-05% change)
- linmin: converged after 13 iterations.
- iteration 103: trace = 5.638518648988574 (5.40634e-05% change)
- linmin: converged after 10 iterations.
- iteration 104: trace = 5.638516668758926 (3.51197e-05% change)
- linmin: converged after 3 iterations.
- iteration 105: trace = 5.638515788106401 (1.56185e-05% change)
- linmin: converged after 3 iterations.
- iteration 106: trace = 5.638515475587027 (5.54258e-06% change)
- linmin: converged after 5 iterations.
- iteration 107: trace = 5.638515353510284 (2.16505e-06% change)
- linmin: converged after 12 iterations.
- iteration 108: trace = 5.638515290917348 (1.1101e-06% change)
- linmin: converged after 2 iterations.
- iteration 109: trace = 5.638515251394711 (7.0094e-07% change)
- linmin: converged after 17 iterations.
- iteration 110: trace = 5.638515230497352 (3.70618e-07% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.638515218975298 (2.04346e-07% change)
- linmin: converged after 25 iterations.
- iteration 112: trace = 5.638515214529265 (7.88511e-08% change)
- linmin: converged after 16 iterations.
- iteration 113: trace = 5.638515212755617 (3.1456e-08% change)
- linmin: converged after 4 iterations.
- iteration 114: trace = 5.638515211745045 (1.79227e-08% change)
- linmin: converged after 14 iterations.
- iteration 115: trace = 5.638515210945735 (1.41759e-08% change)
- linmin: converged after 11 iterations.
- iteration 116: trace = 5.638515210024359 (1.63408e-08% change)
- linmin: converged after 6 iterations.
- iteration 117: trace = 5.638515209011968 (1.79549e-08% change)
- linmin: converged after 3 iterations.
- iteration 118: trace = 5.638515207794927 (2.15844e-08% change)
- linmin: converged after 6 iterations.
- iteration 119: trace = 5.638515206516135 (2.26796e-08% change)
- linmin: converged after 4 iterations.
- iteration 120: trace = 5.638515205038356 (2.62087e-08% change)
- linmin: converged after 4 iterations.
- iteration 121: trace = 5.638515202931114 (3.73723e-08% change)
- linmin: converged after 6 iterations.
- iteration 122: trace = 5.638515200854903 (3.68219e-08% change)
- linmin: converged after 4 iterations.
- iteration 123: trace = 5.638515199087083 (3.13526e-08% change)
- linmin: converged after 5 iterations.
- iteration 124: trace = 5.638515198023093 (1.887e-08% change)
- linmin: converged after 4 iterations.
- iteration 125: trace = 5.638515197266766 (1.34136e-08% change)
- linmin: converged after 20 iterations.
- iteration 126: trace = 5.638515196709655 (9.88047e-09% change)
- linmin: converged after 5 iterations.
- iteration 127: trace = 5.638515196250812 (8.13765e-09% change)
- linmin: converged after 15 iterations.
- iteration 128: trace = 5.638515195990669 (4.61368e-09% change)
- linmin: converged after 7 iterations.
- iteration 129: trace = 5.638515195870576 (2.12987e-09% change)
- linmin: converged after 9 iterations.
- iteration 130: trace = 5.638515195810722 (1.06151e-09% change)
- linmin: converged after 8 iterations.
- iteration 131: trace = 5.638515195782563 (4.99417e-10% change)
- linmin: converged after 18 iterations.
- iteration 132: trace = 5.63851519576964 (2.29176e-10% change)
- linmin: converged after 3 iterations.
- iteration 133: trace = 5.63851519576392 (1.01459e-10% change)
- linmin: converged after 4 iterations.
- iteration 134: trace = 5.63851519575991 (7.11045e-11% change)
-Finished solving for bands 1 to 8 after 134 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586
-elapsed time for k point: 0.43625664710998535
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.610243836776812 (0.416683% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.599604920322789 (0.189814% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.596604913833221 (0.0535897% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.595662117729327 (0.0168473% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.595313265090729 (0.00623454% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.595227399874204 (0.0015346% change)
- linmin: converged after 14 iterations.
- iteration 7: trace = 5.59519831393708 (0.000519836% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.595186325956774 (0.000214255% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.595182011684434 (7.71069e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.595180202268774 (3.23388e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.595179604043117 (1.06918e-05% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.595179391571373 (3.79741e-06% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 5.595179311138063 (1.43755e-06% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 5.595179285473619 (4.58688e-07% change)
- linmin: converged after 24 iterations.
- iteration 15: trace = 5.595179276623078 (1.58182e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.595179273689021 (5.2439e-08% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.595179272904638 (1.40189e-08% change)
- linmin: converged after 16 iterations.
- iteration 18: trace = 5.595179272581779 (5.77031e-09% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.595179272336521 (4.38338e-09% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.595179272188361 (2.648e-09% change)
- linmin: converged after 12 iterations.
- iteration 21: trace = 5.595179272063358 (2.23411e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.595179271964549 (1.76598e-09% change)
- linmin: converged after 6 iterations.
- iteration 23: trace = 5.595179271878047 (1.546e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.595179271843309 (6.20864e-10% change)
- linmin: converged after 12 iterations.
- iteration 25: trace = 5.59517927182701 (2.91304e-10% change)
- linmin: converged after 18 iterations.
- iteration 26: trace = 5.595179271819191 (1.39739e-10% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.595179271816558 (4.70664e-11% change)
-Finished solving for bands 1 to 8 after 27 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301
-elapsed time for k point: 0.08964061737060547
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.589278769396838 (0.288852% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.582217264358345 (0.12642% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.579630100765367 (0.0463573% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.578713954553674 (0.0164208% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.578208746315653 (0.00905641% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.578027303291385 (0.00325276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.577942072907685 (0.00152798% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.577913363825518 (0.000514691% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.577905893250987 (0.000133931% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.577903978777093 (3.43225e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.577903462384925 (9.25782e-06% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.57790335182199 (1.98216e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.577903319845038 (5.73279e-07% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.577903310566395 (1.66346e-07% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.577903307418651 (5.64324e-08% change)
- linmin: converged after 20 iterations.
- iteration 16: trace = 5.577903305861661 (2.79135e-08% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.577903305185309 (1.21256e-08% change)
- linmin: converged after 17 iterations.
- iteration 18: trace = 5.577903304857375 (5.87916e-09% change)
- linmin: converged after 13 iterations.
- iteration 19: trace = 5.57790330471606 (2.53347e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.577903304686394 (5.31865e-10% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.577903304676377 (1.79581e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.577903304673043 (5.97596e-11% change)
-Finished solving for bands 1 to 8 after 22 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753
-elapsed time for k point: 0.07353901863098145
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.607466984195186 (0.245114% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.600508098174442 (0.124177% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.597121607947972 (0.0604858% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.595549314424401 (0.0280951% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.594551452727512 (0.0178347% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.594215569329972 (0.00600394% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.594087068851766 (0.00229705% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.594049548640577 (0.000670714% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.594038609820747 (0.000195544% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 5.594035067085783 (6.33306e-05% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.594033390558402 (2.99699e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.594032551741144 (1.49949e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.594031999184887 (9.8776e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.594031699982709 (5.3486e-06% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.594031556072584 (2.57257e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.594031485788911 (1.2564e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.594031455144977 (5.47797e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.594031432706867 (4.01108e-07% change)
- linmin: converged after 13 iterations.
- iteration 19: trace = 5.594031422730698 (1.78336e-07% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.594031418912026 (6.82633e-08% change)
- linmin: converged after 15 iterations.
- iteration 21: trace = 5.59403141767742 (2.20701e-08% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.594031417255707 (7.53863e-09% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.594031417032634 (3.9877e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.594031416919611 (2.02041e-09% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.594031416877138 (7.5925e-10% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.594031416862819 (2.55973e-10% change)
- linmin: converged after 7 iterations.
- iteration 27: trace = 5.594031416858383 (7.93069e-11% change)
-Finished solving for bands 1 to 8 after 27 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003
-elapsed time for k point: 0.08952188491821289
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.658952488023719 (0.227165% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.651172639068033 (0.137573% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.64697745294418 (0.0742632% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.644684383770696 (0.0406153% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.643239756073964 (0.025596% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.642724507560135 (0.00913078% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.642475213056803 (0.00441808% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.642293858955272 (0.00321414% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.642022882947465 (0.0048027% change)
- large trace change predicted (0.0102229%)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.641446879082053 (0.0102097% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.640440099441923 (0.0178477% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.639322938644529 (0.0198082% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.638404375778331 (0.0162899% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.637799416718211 (0.0107298% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.637559421782496 (0.00425698% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.63747344756972 (0.00152504% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.637440210805517 (0.00058957% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.637423473771829 (0.000296891% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.637418827785591 (8.24133e-05% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.637417051137828 (3.15153e-05% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.637416175196377 (1.5538e-05% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.637415738685664 (7.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.637415488828052 (4.43213e-06% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 5.63741535483237 (2.3769e-06% change)
- linmin: converged after 15 iterations.
- iteration 25: trace = 5.637415263728912 (1.61605e-06% change)
- linmin: converged after 35 iterations.
- iteration 26: trace = 5.637415208122748 (9.86377e-07% change)
- linmin: converged after 24 iterations.
- iteration 27: trace = 5.637415147804388 (1.06996e-06% change)
- large trace change predicted (2.89728e-06%)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.637414984466684 (2.89739e-06% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.637414701464717 (5.02007e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.637414479206141 (3.94256e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.637414382457989 (1.71618e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.637414352167232 (5.37316e-07% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 5.637414342883594 (1.64679e-07% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 5.637414340072162 (4.98709e-08% change)
- linmin: converged after 5 iterations.
- iteration 35: trace = 5.637414339312542 (1.34746e-08% change)
- linmin: converged after 2 iterations.
- iteration 36: trace = 5.63741433891448 (7.06107e-09% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.637414338639296 (4.88139e-09% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.63741433845614 (3.24893e-09% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.637414338381272 (1.32806e-09% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.637414338346884 (6.09989e-10% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 5.637414338317711 (5.17491e-10% change)
- linmin: converged after 8 iterations.
- iteration 42: trace = 5.637414338273104 (7.91267e-10% change)
- linmin: converged after 15 iterations.
- iteration 43: trace = 5.63741433821137 (1.09509e-09% change)
- linmin: converged after 20 iterations.
- iteration 44: trace = 5.637414338111031 (1.77987e-09% change)
- linmin: converged after 5 iterations.
- iteration 45: trace = 5.63741433801738 (1.66125e-09% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 5.637414337962035 (9.81746e-10% change)
- linmin: converged after 8 iterations.
- iteration 47: trace = 5.637414337944453 (3.11872e-10% change)
- linmin: converged after 13 iterations.
- iteration 48: trace = 5.637414337940057 (7.79876e-11% change)
-Finished solving for bands 1 to 8 after 48 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742
-elapsed time for k point: 0.15813350677490234
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.58845996120054 (1.62524% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.538961403002229 (0.889668% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.527070270349131 (0.214912% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.522342887661988 (0.085568% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.520392483599115 (0.0353247% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.519566528529973 (0.014963% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.519192001279461 (0.00678568% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.519052775913094 (0.0025226% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.518995901845807 (0.00103051% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.518965434921136 (0.000552039% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.518951031752566 (0.000260976% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.518944394189483 (0.000120269% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.518942193535247 (3.98746e-05% change)
- linmin: converged after 15 iterations.
- iteration 14: trace = 5.518941629485422 (1.02203e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.51894144352032 (3.36958e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.518941398225257 (8.2072e-07% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.518941383071711 (2.74573e-07% change)
- linmin: converged after 12 iterations.
- iteration 18: trace = 5.518941376509176 (1.18909e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.518941374239362 (4.11277e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.518941372978494 (2.28462e-08% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.518941372520785 (8.29343e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.518941372298925 (4.01997e-09% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.51894137216323 (2.45871e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.518941372061886 (1.83629e-09% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.518941371930683 (2.37731e-09% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.518941371759545 (3.10093e-09% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.518941371614912 (2.62066e-09% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.518941371516163 (1.78927e-09% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.518941371440128 (1.37771e-09% change)
- linmin: converged after 7 iterations.
- iteration 30: trace = 5.518941371369826 (1.27383e-09% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 5.51894137133035 (7.15282e-10% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 5.518941371316815 (2.45262e-10% change)
- linmin: converged after 18 iterations.
- iteration 33: trace = 5.518941371312549 (7.7296e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679
-elapsed time for k point: 0.10902094841003418
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.358965069231854 (0.494938% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.347410133100355 (0.215852% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.344694532958302 (0.0507964% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.343549261595155 (0.0214305% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.342917059986708 (0.0118318% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.342682889492325 (0.00438292% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.34257673377283 (0.00198696% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.34254020353794 (0.000683759% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.342529450593277 (0.00020127% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.342525583052339 (7.23916e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.342524762095747 (1.53665e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.342524528418492 (4.37391e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.34252447592385 (9.82581e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.342524468019509 (1.47951e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.342524466444304 (2.94843e-08% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.342524466019545 (7.95053e-09% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.342524465855403 (3.07236e-09% change)
- linmin: converged after 18 iterations.
- iteration 18: trace = 5.342524465750503 (1.96349e-09% change)
- linmin: converged after 8 iterations.
- iteration 19: trace = 5.342524465692871 (1.07874e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.342524465655599 (6.97639e-10% change)
- linmin: converged after 13 iterations.
- iteration 21: trace = 5.342524465621588 (6.36609e-10% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.342524465595665 (4.85225e-10% change)
- linmin: converged after 6 iterations.
- iteration 23: trace = 5.342524465572257 (4.38144e-10% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.342524465547465 (4.64062e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.342524465528069 (3.6305e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.342524465517736 (1.93412e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.342524465514544 (5.97325e-11% change)
-Finished solving for bands 1 to 8 after 27 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367
-elapsed time for k point: 0.08968544006347656
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.205843851365977 (0.260823% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.201250999979981 (0.0882639% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.200149842129167 (0.0211733% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.199802675803611 (0.00667631% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.199636452166119 (0.00319678% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.199588777496309 (0.000916889% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.199568860655153 (0.000383047% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.199559960602095 (0.000171169% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.199557315513331 (5.08714e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 5.199556443338575 (1.6774e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.199556282069325 (3.1016e-06% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.199556247771246 (6.59635e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.199556240158948 (1.46403e-07% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 5.199556238716337 (2.77449e-08% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 5.199556238427382 (5.55729e-09% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.199556238339889 (1.6827e-09% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.199556238303392 (7.01926e-10% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.199556238269373 (6.54268e-10% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.199556238207714 (1.18585e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.199556238136205 (1.37529e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.19955623808818 (9.23648e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.199556238072939 (2.93124e-10% change)
- linmin: converged after 6 iterations.
- iteration 23: trace = 5.199556238067979 (9.53848e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636
-elapsed time for k point: 0.07655811309814453
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.113888636560835 (0.193819% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.111058653692732 (0.0553545% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.110360041817678 (0.0136696% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.110178387935674 (0.00355468% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.110110328941208 (0.00133184% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.110094373675731 (0.00031223% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.110090048386217 (8.46421e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.110087943959183 (4.11818e-05% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.110087209667761 (1.43694e-05% change)
- linmin: converged after 22 iterations.
- iteration 10: trace = 5.110086882135968 (6.40951e-06% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.110086801162778 (1.58458e-06% change)
- linmin: converged after 12 iterations.
- iteration 12: trace = 5.110086778559403 (4.42329e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.110086772372885 (1.21065e-07% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.110086770914102 (2.85471e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.110086770602329 (6.10113e-09% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.110086770517023 (1.66936e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.110086770480933 (7.06255e-10% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.1100867704383 (8.343e-10% change)
- large trace change predicted (2.1347e-09%)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.110086770329221 (2.13458e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.110086770238314 (1.77897e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.110086770200718 (7.35716e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.110086770192777 (1.55403e-10% change)
- linmin: converged after 16 iterations.
- iteration 23: trace = 5.110086770190959 (3.55787e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762
-elapsed time for k point: 0.07702803611755371
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.08296873445709 (0.170848% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.080632009848869 (0.0459822% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.080034162833817 (0.0117679% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.079889067208426 (0.00285623% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.079840786284366 (0.000950437% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.079830362273212 (0.000205204% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 5.079828547056509 (3.57338e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 5.079827969475189 (1.13701e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 5.079827856733455 (2.2194e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 5.079827805883459 (1.00102e-06% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 5.079827785437719 (4.02489e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.0798277757082 (1.91532e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.079827771842986 (7.60895e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 5.079827770756292 (2.13923e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.07982777053307 (4.39427e-09% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.07982777046622 (1.31598e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.079827770421266 (8.84956e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.079827770346474 (1.47235e-09% change)
- large trace change predicted (3.34423e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.079827770176589 (3.3443e-09% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.079827770098357 (1.54006e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.079827770077138 (4.17703e-10% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.079827770073004 (8.13725e-11% change)
-Finished solving for bands 1 to 8 after 22 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801
-elapsed time for k point: 0.07357382774353027
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.146430386813067 (0.331875% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.14163854363848 (0.0931534% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.14033682432069 (0.0253204% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.139958644400264 (0.00735737% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.139823079442868 (0.00263751% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.139792533516841 (0.000594301% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.139787176704381 (0.000104222% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.139785473947313 (3.31289e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.139785114467225 (6.99407e-06% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.139784968056226 (2.84858e-06% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.139784924164505 (8.5396e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.139784914516126 (1.8772e-07% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.139784912150693 (4.6022e-08% change)
- linmin: converged after 23 iterations.
- iteration 14: trace = 5.139784911632526 (1.00815e-08% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.139784911523805 (2.11528e-09% change)
- linmin: converged after 10 iterations.
- iteration 16: trace = 5.139784911497796 (5.06041e-10% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.139784911491649 (1.19598e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.139784911490271 (2.6802e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708
-elapsed time for k point: 0.06056833267211914
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.321113856603153 (0.391941% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.31273543459494 (0.15758% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.309860483627236 (0.054129% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.30865460253759 (0.0227128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.30811010417094 (0.0102573% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.307980354200669 (0.0024444% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.30794615774418 (0.000644248% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.307931944059662 (0.000267782% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.30792741003905 (8.54198e-05% change)
- linmin: converged after 7 iterations.
- iteration 10: trace = 5.30792522016629 (4.12567e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.30792450832233 (1.3411e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.307924276765975 (4.36247e-06% change)
- linmin: converged after 11 iterations.
- iteration 13: trace = 5.307924196866908 (1.50528e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.307924180430647 (3.09655e-07% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.307924176022226 (8.30536e-08% change)
- linmin: converged after 13 iterations.
- iteration 16: trace = 5.307924174763156 (2.37206e-08% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.307924174428118 (6.31203e-09% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.307924174351104 (1.45092e-09% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.307924174333357 (3.3436e-10% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.3079241743296 (7.07641e-11% change)
-Finished solving for bands 1 to 8 after 20 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198
-elapsed time for k point: 0.06691479682922363
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.565278284532583 (0.649197% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.539308670153495 (0.467728% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.527740928004517 (0.209048% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.52119231461106 (0.118538% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.517705504983867 (0.0631731% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.516689861468588 (0.0184087% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.516225756129595 (0.0084131% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.515968278409327 (0.00466775% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.515821918920194 (0.00265341% change)
- linmin: converged after 7 iterations.
- iteration 10: trace = 5.515731715125206 (0.00163538% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.515703319343586 (0.000514816% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.515694777907218 (0.000154857% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.51569198306254 (5.06708e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.515691259672617 (1.31151e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.515690942868781 (5.74368e-06% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.51569084558965 (1.76368e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.515690808935376 (6.64545e-07% change)
- linmin: converged after 29 iterations.
- iteration 18: trace = 5.51569079095453 (3.25994e-07% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.51569078272834 (1.49142e-07% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.515690779523196 (5.81096e-08% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.515690778440378 (1.96316e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.515690778101877 (6.13705e-09% change)
- linmin: converged after 20 iterations.
- iteration 23: trace = 5.515690777997043 (1.90066e-09% change)
- linmin: converged after 13 iterations.
- iteration 24: trace = 5.51569077796538 (5.74047e-10% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 5.515690777958354 (1.27389e-10% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.515690777956149 (3.99832e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099
-elapsed time for k point: 0.08656930923461914
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.699370390343353 (1.24468% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.647627271005885 (0.912014% change)
- linmin: converged after 9 iterations.
- iteration 3: trace = 5.63252208373286 (0.267819% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.62552951882026 (0.124223% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.622573009119122 (0.052569% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.621751214744261 (0.0146171% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.621415490821263 (0.00597205% change)
- linmin: converged after 9 iterations.
- iteration 8: trace = 5.621208187043257 (0.00368782% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.621026602496656 (0.0032304% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.620814125083641 (0.00378012% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.620629887436438 (0.00327783% change)
- linmin: converged after 7 iterations.
- iteration 12: trace = 5.620459427784636 (0.0030328% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.620367874577292 (0.00162894% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.620331402042908 (0.000648937% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.620316079252684 (0.000272632% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.62031103997582 (8.96618e-05% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.620309265165606 (3.15785e-05% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.620308520932279 (1.32419e-05% change)
- linmin: converged after 7 iterations.
- iteration 19: trace = 5.620308198035805 (5.74517e-06% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.620308061374724 (2.43156e-06% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.620308008166845 (9.46708e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.620307991491019 (2.96707e-07% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.620307984134831 (1.30886e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.620307981734177 (4.27139e-08% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 5.620307979992978 (3.09805e-08% change)
- linmin: converged after 8 iterations.
- iteration 26: trace = 5.620307977675802 (4.12286e-08% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.62030797474326 (5.21776e-08% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.620307972553187 (3.89671e-08% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.620307971583566 (1.72521e-08% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.620307971162819 (7.48619e-09% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.6203079709569 (3.66384e-09% change)
- linmin: converged after 9 iterations.
- iteration 32: trace = 5.620307970850902 (1.88598e-09% change)
- linmin: converged after 10 iterations.
- iteration 33: trace = 5.620307970806838 (7.84019e-10% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 5.620307970792952 (2.47064e-10% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.620307970788173 (8.50361e-11% change)
-Finished solving for bands 1 to 8 after 35 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332
-elapsed time for k point: 0.1152334213256836
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.721397683446691 (0.88116% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.690132175108849 (0.547963% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.679949561600693 (0.179112% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.674005700180744 (0.104701% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.670491569909078 (0.061953% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.668987199256972 (0.0265333% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.668194726503535 (0.0139801% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.667868425634297 (0.00575686% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.667594186191996 (0.00483861% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.667311953686994 (0.00497988% change)
- large trace change predicted (0.0130659%)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.666577477888356 (0.0129607% change)
- large trace change predicted (0.253568%)
- linmin: converged after 10 iterations.
- iteration 12: trace = 5.662184718098482 (0.0775506% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.659157953576945 (0.0534701% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 5.656543771166633 (0.0462045% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.653314443339882 (0.0571064% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.648626313306814 (0.0829615% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.643821363234167 (0.0851002% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.638869397509292 (0.0877799% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.635889317433015 (0.0528629% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.63393489491962 (0.0346842% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.632971468037331 (0.0171019% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.632161076469179 (0.0143876% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.63151624016928 (0.0114498% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.630961940296936 (0.0098433% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 5.630499098024456 (0.00821993% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.630122619588494 (0.00668664% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.629867621832449 (0.00452927% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.629720051203279 (0.00262124% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.62960577704948 (0.00202986% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.629504361168565 (0.00180149% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 5.629394147451477 (0.00195781% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.629290226392969 (0.00184606% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.629198024981242 (0.0016379% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 5.629133733956371 (0.00114211% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 5.629086222964411 (0.000844023% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.629045867564224 (0.000716911% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.629010408054762 (0.00062994% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.628979004567635 (0.000557888% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.628952468539465 (0.000471419% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.62893221276024 (0.000359851% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 5.628917703760266 (0.000257758% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.628904770131388 (0.000229771% change)
- linmin: converged after 4 iterations.
- iteration 43: trace = 5.628894295237322 (0.000186091% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 5.628885548975525 (0.000155382% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 5.628880125203513 (9.63561e-05% change)
- linmin: converged after 5 iterations.
- iteration 46: trace = 5.628876480395514 (6.47519e-05% change)
- linmin: converged after 5 iterations.
- iteration 47: trace = 5.62887385527329 (4.66367e-05% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 5.628871914587953 (3.44773e-05% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 5.628870173455476 (3.09322e-05% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.628868872042864 (2.31203e-05% change)
- linmin: converged after 5 iterations.
- iteration 51: trace = 5.628867792579468 (1.91773e-05% change)
- linmin: converged after 4 iterations.
- iteration 52: trace = 5.628867067350733 (1.28841e-05% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 5.628866472394931 (1.05697e-05% change)
- linmin: converged after 5 iterations.
- iteration 54: trace = 5.62886603893755 (7.70062e-06% change)
- linmin: converged after 2 iterations.
- iteration 55: trace = 5.62886573363008 (5.42396e-06% change)
- linmin: converged after 2 iterations.
- iteration 56: trace = 5.628865472838771 (4.63311e-06% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.628865257055425 (3.83351e-06% change)
- linmin: converged after 2 iterations.
- iteration 58: trace = 5.628865067351745 (3.37019e-06% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.628864923865831 (2.54911e-06% change)
- linmin: converged after 7 iterations.
- iteration 60: trace = 5.628864787389207 (2.42459e-06% change)
- linmin: converged after 4 iterations.
- iteration 61: trace = 5.628864676742341 (1.9657e-06% change)
- linmin: converged after 2 iterations.
- iteration 62: trace = 5.628864577628915 (1.76081e-06% change)
- linmin: converged after 2 iterations.
- iteration 63: trace = 5.628864491681037 (1.52691e-06% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.62886442356569 (1.21011e-06% change)
- linmin: converged after 2 iterations.
- iteration 65: trace = 5.628864369045474 (9.68583e-07% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.628864328357649 (7.22843e-07% change)
- linmin: converged after 4 iterations.
- iteration 67: trace = 5.628864294910065 (5.94215e-07% change)
- linmin: converged after 2 iterations.
- iteration 68: trace = 5.628864268960117 (4.61016e-07% change)
- linmin: converged after 4 iterations.
- iteration 69: trace = 5.628864245245671 (4.21301e-07% change)
- resetting CG direction...
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.628864210818001 (6.11627e-07% change)
- linmin: converged after 2 iterations.
- iteration 71: trace = 5.628864185805083 (4.44369e-07% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 5.62886417649749 (1.65355e-07% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 5.62886417232996 (7.40386e-08% change)
- linmin: converged after 2 iterations.
- iteration 74: trace = 5.628864170611668 (3.05264e-08% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.628864170125662 (8.63417e-09% change)
- linmin: converged after 2 iterations.
- iteration 76: trace = 5.628864169899495 (4.01798e-09% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 5.628864169746248 (2.72252e-09% change)
- linmin: converged after 5 iterations.
- iteration 78: trace = 5.628864169565651 (3.20841e-09% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.628864169372569 (3.43023e-09% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.628864169215252 (2.79482e-09% change)
- linmin: converged after 8 iterations.
- iteration 81: trace = 5.628864169115525 (1.7717e-09% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 5.628864169056971 (1.04025e-09% change)
- linmin: converged after 11 iterations.
- iteration 83: trace = 5.628864169025799 (5.53796e-10% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.628864169015145 (1.89269e-10% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.628864169011917 (5.73409e-11% change)
-Finished solving for bands 2 to 8 after 85 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859
-elapsed time for k point: 0.22905993461608887
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219018 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.44462291347067495 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519592 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5943566394470327 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911942 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6793887413076379 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8304573822339184 at Vector3<0.3, 0.3, 0.0> to 0.924371683058559 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.8957817684117539 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200458 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8957868745330794 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221035 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.097416809585407 at Vector3<0.5, 0.0, 0.0> to 1.128012764811995 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5943440245519592) to band 3 (0.5943566394470327), 0.0021224679106323554%
-Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339184), 1.586071064729172%
-Gap from band 7 (1.0958021492221035) to band 8 (1.097416809585407), 0.14724114588007364%
-total elapsed time for run: 1.9589552879333496
-done
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013861656188964844
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 11 iterations.
- iteration 1: trace = 13.65344660078471 (194.937% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 5.609537790902672 (83.5167% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 4.870968737369703 (14.0941% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 4.592889108403792 (5.87667% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.517375695716687 (1.65777% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.501941736249235 (0.342242% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.497232324294318 (0.104663% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.494705098196539 (0.0562109% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.493491980362646 (0.0269936% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.491945491445946 (0.0344221% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 4.488917948171112 (0.0674221% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.485988456176244 (0.0652818% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.484190937558812 (0.0400777% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.48386913487522 (0.00717664% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.483819386025643 (0.00110951% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 4.483805975020271 (0.000299098% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 4.48380114171588 (0.000107795% change)
- linmin: converged after 10 iterations.
- iteration 18: trace = 4.483800147423096 (2.21752e-05% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 4.483799826914352 (7.14815e-06% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 4.483799489839024 (7.51763e-06% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 4.483798967853178 (1.16416e-05% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.483798525218377 (9.87187e-06% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 4.483798337445188 (4.18782e-06% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 4.483798287890266 (1.1052e-06% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 4.483798277712628 (2.26987e-07% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 4.483798275623183 (4.65999e-08% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 4.483798275083284 (1.20411e-08% change)
- linmin: converged after 18 iterations.
- iteration 28: trace = 4.483798274909358 (3.879e-09% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 4.483798274857846 (1.14884e-09% change)
- linmin: converged after 10 iterations.
- iteration 30: trace = 4.483798274835885 (4.89788e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 4.4837982747952 (9.07373e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 4.483798274730355 (1.44621e-09% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 4.483798274703627 (5.96101e-10% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 4.483798274697107 (1.45415e-10% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 4.48379827469335 (8.37904e-11% change)
-Finished solving for bands 2 to 8 after 35 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938
-elapsed time for k point: 0.09586620330810547
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.47117509170385 (1.08128% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.432523987969934 (0.868203% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.413416315925295 (0.43201% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.404296019479978 (0.206863% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.401461350048561 (0.0643822% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.399788733721918 (0.0380086% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.398929457669709 (0.0195318% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.398458753658963 (0.010701% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.398236171477376 (0.00506059% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.398175740996535 (0.00137398% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 4.398161708582171 (0.000319051% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.398157649223499 (9.22968e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.398156557280681 (2.48273e-05% change)
- linmin: converged after 14 iterations.
- iteration 14: trace = 4.398156022880001 (1.21506e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 4.39815575235398 (6.1509e-06% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 4.398155622498218 (2.9525e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.398155576367896 (1.04886e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.398155552776307 (5.36397e-07% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 4.398155541734073 (2.51065e-07% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 4.398155536009729 (1.30153e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 4.398155534105945 (4.3286e-08% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 4.398155533748286 (8.13204e-09% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 4.398155533692945 (1.25827e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 4.398155533670937 (5.00396e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 4.398155533656857 (3.20121e-10% change)
- linmin: converged after 8 iterations.
- iteration 26: trace = 4.39815553365001 (1.55698e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 4.398155533647456 (5.80587e-11% change)
-Finished solving for bands 1 to 8 after 27 iterations.
-tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688
-elapsed time for k point: 0.09032177925109863
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.319158064832369 (0.507573% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.315195172035457 (0.0917936% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.314652488861989 (0.0125769% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.314511296930288 (0.00327244% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.314475376819518 (0.000832545% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.314467154448444 (0.000190577% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.314465990301333 (2.69824e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.31446586390868 (2.92951e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.314465856457112 (1.72711e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.31446585576822 (1.5967e-08% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.314465855720847 (1.098e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.314465855716318 (1.04989e-10% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 4.31446585571558 (1.70864e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882
-elapsed time for k point: 0.04444694519042969
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.259813230869057 (0.437307% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.256808525762702 (0.070561% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.256424318461065 (0.00902612% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.256370493922877 (0.00126456% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.256364774302127 (0.000134378% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.256364062218789 (1.67298e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.256363946820415 (2.7112e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.256363898709568 (1.13033e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.256363889801436 (2.0929e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.256363888602306 (2.81727e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.256363888506427 (2.2526e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.256363888498841 (1.78226e-10% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.256363888498332 (1.19568e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589
-elapsed time for k point: 0.04432344436645508
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.230445167891604 (0.428208% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.226884659314516 (0.0841994% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.226277772317788 (0.0143588% change)
- linmin: converged after 8 iterations.
- iteration 4: trace = 4.226142669225807 (0.00319679% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.226108930204354 (0.000798344% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.226098815419109 (0.000239341% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.226095681906936 (7.41467e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.226095353849791 (7.76265e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.226095326529167 (6.46474e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.226095324571847 (4.63151e-08% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 4.226095324437822 (3.17135e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.226095324430023 (1.84546e-10% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.226095324429568 (1.07605e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874
-elapsed time for k point: 0.04431414604187012
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.224590436596976 (0.46166% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.219402634957612 (0.122876% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.218303323951641 (0.0260571% change)
- linmin: converged after 10 iterations.
- iteration 4: trace = 4.217912996839637 (0.00925361% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.217806962656632 (0.00251393% change)
- linmin: converged after 9 iterations.
- iteration 6: trace = 4.217779234764804 (0.000657403% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.217772706280908 (0.000154785% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.217772221251987 (1.14996e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.217772182111439 (9.27991e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.217772179564777 (6.03793e-08% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.217772179377826 (4.43248e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.217772179362668 (3.59376e-10% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.217772179355181 (1.77498e-10% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.217772179352377 (6.65012e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408
-elapsed time for k point: 0.04788947105407715
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.216167442451164 (0.906425% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.207075518579895 (0.215877% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.205560118729062 (0.0360268% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.20543792525936 (0.00290556% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.205424978514317 (0.000307858% change)
- linmin: converged after 29 iterations.
- iteration 6: trace = 4.205423872193348 (2.6307e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.205423830220985 (9.98053e-07% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.205423828175205 (4.86462e-08% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 4.205423828042199 (3.16274e-09% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.205423828029007 (3.13693e-10% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 4.205423828027399 (3.82269e-11% change)
-Finished solving for bands 1 to 8 after 11 iterations.
-tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917
-elapsed time for k point: 0.038079023361206055
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.188511643576091 (0.767217% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.183271740703043 (0.12518% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.182635593295243 (0.0152081% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.182595255887836 (0.000964406% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.182592616911325 (6.30943e-05% change)
- linmin: converged after 33 iterations.
- iteration 6: trace = 4.182592321790135 (7.05594e-06% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.182592286855638 (8.35236e-07% change)
- linmin: converged after 19 iterations.
- iteration 8: trace = 4.182592281925398 (1.17875e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.182592281109054 (1.95177e-08% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.182592281032474 (1.83091e-09% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.182592281023937 (2.04112e-10% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.182592281022643 (3.09396e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092
-elapsed time for k point: 0.04150652885437012
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.172248021921067 (0.635399% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.168646425845074 (0.0863599% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.16797869350233 (0.0160192% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.167833298187497 (0.00348845% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.167813086647444 (0.000484942% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.167811349625674 (4.16771e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.167811247608131 (2.44775e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.167811240546714 (1.69427e-07% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.167811239437253 (2.66198e-08% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.167811239290017 (3.53269e-09% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.167811239280089 (2.38187e-10% change)
- linmin: converged after 8 iterations.
- iteration 12: trace = 4.167811239279438 (1.56419e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108
-elapsed time for k point: 0.04119539260864258
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.175020794659225 (0.559983% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.171453968416325 (0.085469% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.169838633398401 (0.038731% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.169126573577484 (0.0170779% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.169030186733768 (0.00231195% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.16902380410991 (0.000153096% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.169023362478125 (1.05932e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.169023324272549 (9.16416e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.169023320812347 (8.29979e-08% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.169023319376684 (3.44364e-08% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.169023318807238 (1.3659e-08% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.169023318685015 (2.93168e-09% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.169023318668819 (3.88483e-10% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.169023318668043 (1.86199e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581
-elapsed time for k point: 0.04776597023010254
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.196748230141918 (0.499327% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.191391085979967 (0.127731% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 4.184065231778533 (0.174936% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.179418151111563 (0.111128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.178708162121 (0.0169892% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.178675276778256 (0.000786977% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.178673354488494 (4.60024e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.178673127808471 (5.42469e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.178673067930245 (1.43295e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.178672983680849 (2.01618e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.178672966328831 (4.15252e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.178672965170099 (2.77297e-08% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.178672965096586 (1.75924e-09% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.178672965089365 (1.72803e-10% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.178672965088623 (1.77692e-11% change)
-Finished solving for bands 1 to 8 after 15 iterations.
-tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993
-elapsed time for k point: 0.051058053970336914
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.215590647524031 (1.05654% change)
- linmin: converged after 10 iterations.
- iteration 2: trace = 4.183207287460688 (0.771143% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 4.156607860607693 (0.63789% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.145125801931357 (0.276618% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.141661343321531 (0.083614% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.141092875796296 (0.0137265% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.141018445194859 (0.00179738% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.141013513514405 (0.000119093% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.141012954787888 (1.34925e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.141012717733229 (5.72456e-06% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 4.141012607970374 (2.65063e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.141012579996667 (6.75528e-07% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.141012578178469 (4.39071e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.141012578052824 (3.03415e-09% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.141012578041202 (2.80652e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 4.141012578036988 (1.01772e-10% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 4.14101257803556 (3.44889e-11% change)
-Finished solving for bands 1 to 8 after 17 iterations.
-tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347
-elapsed time for k point: 0.057220458984375
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.147564043481693 (0.875199% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.142071403504552 (0.132518% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.141407784545613 (0.0160227% change)
- linmin: converged after 14 iterations.
- iteration 4: trace = 4.141348425305269 (0.00143332% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.141332888571218 (0.000375162% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.141330631750844 (5.4495e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.141330428051608 (4.91869e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.141330407855833 (4.87664e-07% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.141330405897514 (4.72872e-08% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.141330405721697 (4.24542e-09% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.141330405701249 (4.93767e-10% change)
- linmin: converged after 7 iterations.
- iteration 12: trace = 4.14133040570003 (2.94249e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595
-elapsed time for k point: 0.041141510009765625
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.219183998789268 (0.838948% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.214112239631161 (0.120279% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.213587255840629 (0.0124585% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.213533983072801 (0.00126432% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.213522375060026 (0.000275494% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.213521453044298 (2.18823e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.21352138376677 (1.64417e-06% change)
- linmin: converged after 29 iterations.
- iteration 8: trace = 4.213521376642288 (1.69086e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.213521376039916 (1.42962e-08% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.213521375952428 (2.07635e-09% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.213521375942169 (2.43486e-10% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 4.213521375941404 (1.81492e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925
-elapsed time for k point: 0.041489362716674805
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.354935285252275 (0.903179% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.347005534771354 (0.182252% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.345758802079407 (0.0286844% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.345492824185595 (0.00612059% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.345439182323275 (0.00123443% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.345428859007479 (0.000237567% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 4.345426500208693 (5.42823e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.345426131439357 (8.48638e-06% change)
- linmin: converged after 17 iterations.
- iteration 9: trace = 4.345426090356747 (9.45422e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.345426086357088 (9.2043e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.34542608605445 (6.96454e-09% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.345426086022092 (7.44627e-10% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.345426086018986 (7.1497e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526
-elapsed time for k point: 0.044411420822143555
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.518149969222198 (1.13355% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.499734133170298 (0.408429% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.495250492449571 (0.099692% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.493713193153424 (0.0342041% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.492592218712791 (0.0249485% change)
- large trace change predicted (0.050791%)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.490355890858018 (0.0497905% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.487337847436465 (0.0672343% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.485431457992108 (0.0424928% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.484262744539711 (0.0260592% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.483883370910918 (0.00846047% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.483810183156654 (0.00163225% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.483801839966898 (0.000186074% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.483800541625655 (2.89563e-05% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.48380018565615 (7.93901e-06% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.483799885096502 (6.70323e-06% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 4.483799578938856 (6.82808e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 4.483799309165798 (6.01662e-06% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 4.483798916289055 (8.76214e-06% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 4.483798783128174 (2.96982e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 4.483798762624252 (4.57289e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 4.483798756127834 (1.44886e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 4.483798754611385 (3.38206e-08% change)
- linmin: converged after 15 iterations.
- iteration 23: trace = 4.483798754481978 (2.88612e-09% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 4.483798754451529 (6.79079e-10% change)
- linmin: converged after 11 iterations.
- iteration 25: trace = 4.483798754422116 (6.55982e-10% change)
- linmin: converged after 8 iterations.
- iteration 26: trace = 4.483798754387671 (7.68218e-10% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 4.483798754356928 (6.85636e-10% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 4.483798754303908 (1.1825e-09% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 4.48379875427857 (5.6508e-10% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 4.483798754271722 (1.52744e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 4.483798754265766 (1.32817e-10% change)
- large trace change predicted (4.8196e-10%)
- linmin: converged after 6 iterations.
- iteration 32: trace = 4.483798754244152 (4.82062e-10% change)
- large trace change predicted (2.6894e-09%)
- linmin: converged after 2 iterations.
- iteration 33: trace = 4.483798754123567 (2.68934e-09% change)
- large trace change predicted (9.03518e-09%)
- linmin: converged after 5 iterations.
- iteration 34: trace = 4.483798753718449 (9.03516e-09% change)
- large trace change predicted (3.80042e-08%)
- linmin: converged after 3 iterations.
- iteration 35: trace = 4.483798752014425 (3.8004e-08% change)
- large trace change predicted (1.44447e-07%)
- linmin: converged after 5 iterations.
- iteration 36: trace = 4.483798745538273 (1.44434e-07% change)
- large trace change predicted (4.63378e-07%)
- linmin: converged after 6 iterations.
- iteration 37: trace = 4.48379872477563 (4.63059e-07% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 4.483798696719777 (6.25716e-07% change)
- linmin: converged after 14 iterations.
- iteration 39: trace = 4.483798668072068 (6.38916e-07% change)
- linmin: converged after 7 iterations.
- iteration 40: trace = 4.483798643130926 (5.5625e-07% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 4.483798621858712 (4.74424e-07% change)
- large trace change predicted (1.35926e-06%)
- linmin: converged after 12 iterations.
- iteration 42: trace = 4.483798561180511 (1.35328e-06% change)
- large trace change predicted (5.83318e-06%)
- linmin: converged after 6 iterations.
- iteration 43: trace = 4.483798313956219 (5.51372e-06% change)
- linmin: converged after 7 iterations.
- iteration 44: trace = 4.483798101265305 (4.74354e-06% change)
- linmin: converged after 9 iterations.
- iteration 45: trace = 4.483798058281495 (9.58647e-07% change)
- linmin: converged after 7 iterations.
- iteration 46: trace = 4.483798047911615 (2.31274e-07% change)
- linmin: converged after 10 iterations.
- iteration 47: trace = 4.483798039715489 (1.82794e-07% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 4.483798036699957 (6.7254e-08% change)
- linmin: converged after 6 iterations.
- iteration 49: trace = 4.483798033244328 (7.70692e-08% change)
- linmin: converged after 11 iterations.
- iteration 50: trace = 4.483798027631948 (1.2517e-07% change)
- linmin: converged after 6 iterations.
- iteration 51: trace = 4.483798025313344 (5.17107e-08% change)
- linmin: converged after 7 iterations.
- iteration 52: trace = 4.483798024489732 (1.83686e-08% change)
- linmin: converged after 13 iterations.
- iteration 53: trace = 4.483798024240048 (5.56858e-09% change)
- linmin: converged after 2 iterations.
- iteration 54: trace = 4.483798024202118 (8.45947e-10% change)
- linmin: converged after 4 iterations.
- iteration 55: trace = 4.483798024192735 (2.09258e-10% change)
- linmin: converged after 18 iterations.
- iteration 56: trace = 4.483798024185385 (1.63916e-10% change)
- large trace change predicted (3.44338e-10%)
- linmin: converged after 7 iterations.
- iteration 57: trace = 4.483798024169943 (3.44412e-10% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 4.483798024159209 (2.39387e-10% change)
- linmin: converged after 4 iterations.
- iteration 59: trace = 4.48379802415644 (6.17633e-11% change)
-Finished solving for bands 2 to 8 after 59 iterations.
-tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938
-.elapsed time for k point: 0.15972304344177246
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965476 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.42065733839975133 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831293 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.5029830978365978 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128112 at Vector3<0.5, 0.0, 0.0>
-Band 4 range: 0.5613397939889752 at Vector3<0.0, 0.0, 0.0> to 0.7200918204564002 at Vector3<0.5, 0.0, 0.0>
-Band 5 range: 0.7472029910480837 at Vector3<0.5, 0.0, 0.0> to 0.874359380500508 at Vector3<0.5, 0.5, 0.0>
-Band 6 range: 0.8404509697526804 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822797 at Vector3<0.5, 0.5, 0.0>
-Band 7 range: 0.8770118718330774 at Vector3<0.5, 0.0, 0.0> to 0.965325380898161 at Vector3<0.0, 0.0, 0.0>
-Band 8 range: 0.8929933495598094 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093362 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.28590577911965476) to band 2 (0.42065733839975133), 38.14282289547772%
-Gap from band 4 (0.7200918204564002) to band 5 (0.7472029910480837), 3.695395142014472%
-total elapsed time for run: 0.933302640914917
-done
-/tmp/meepg15Lzl/test_sq_rods-0: 2.89s
-
-/tmp/meepg15Lzl/test_strip-0
-========================
-Initializing eigensolver data
-Computing 4 bands with 1e-12 tolerance
-Working in 3 dimensions.
-Grid size is 1 x 64 x 64.
-Solving for 4 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 2, 0)
- (0, 0, 2)
-Cell volume = 4
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 0.5, -0)
- (0, -0, 0.5)
-Geometric objects:
- block, center = (0,0,0.5625)
- size (1e+20,1e+20,0.875)
- axes (1,0,0), (0,1,0), (0,0,1)
- block, center = (0,0,0)
- size (1e+20,0.3,0.25)
- axes (1,0,0), (0,1,0), (0,0,1)
-Geometric object tree has depth 2 and 8 object nodes (vs. 2 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: .
-Initializing fields to random numbers...
-11 k-points
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.39, 0.0, 0.0>
- Vector3<0.6799999999999999, 0.0, 0.0>
- Vector3<0.9699999999999999, 0.0, 0.0>
- Vector3<1.26, 0.0, 0.0>
- Vector3<1.55, 0.0, 0.0>
- Vector3<1.8399999999999999, 0.0, 0.0>
- Vector3<2.13, 0.0, 0.0>
- Vector3<2.42, 0.0, 0.0>
- Vector3<2.71, 0.0, 0.0>
- Vector3<3.0, 0.0, 0.0>
-elapsed time for initialization: 0.0041582584381103516
-solve_kpoint (0.1,0,0):
-freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4
-Solving for bands 1 to 4...
- near maximum in trace
- linmin: converged after 15 iterations.
- iteration 1: trace = 0.9888324390218044 (199.208% change)
- linmin: converged after 8 iterations.
- iteration 2: trace = 0.3275386403031393 (100.472% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 0.2964736897935054 (9.95652% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 0.2766924976907892 (6.90243% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 0.2726168891851928 (1.4839% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 0.2709568969210187 (0.61077% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 0.270421571645273 (0.197764% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 0.2698420362472927 (0.214538% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 0.2692566677135553 (0.217166% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 0.2688723160972978 (0.142847% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 0.2687479778755979 (0.046255% change)
- linmin: converged after 7 iterations.
- iteration 12: trace = 0.2687078756607025 (0.014923% change)
- linmin: converged after 13 iterations.
- iteration 13: trace = 0.2686863756597033 (0.00800157% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.2686684185723042 (0.00668351% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 0.2686570148093189 (0.00424464% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 0.2686528052174897 (0.00156691% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 0.268650950503293 (0.000690378% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 0.2686504308755131 (0.000193421% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 0.2686501381174944 (0.000108974% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 0.2686498488710397 (0.000107667% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 0.2686495704062641 (0.000103653% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 0.2686494341955125 (5.0702e-05% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 0.2686493830083235 (1.90535e-05% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 0.2686493569010618 (9.71797e-06% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.2686493401671162 (6.22892e-06% change)
- linmin: converged after 15 iterations.
- iteration 26: trace = 0.2686493260250872 (5.26412e-06% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 0.2686493177549078 (3.07843e-06% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 0.2686493141307413 (1.34903e-06% change)
- linmin: converged after 15 iterations.
- iteration 29: trace = 0.2686493133317409 (2.97414e-07% change)
- linmin: converged after 7 iterations.
- iteration 30: trace = 0.2686493131406225 (7.11405e-08% change)
- linmin: converged after 9 iterations.
- iteration 31: trace = 0.2686493130940624 (1.73312e-08% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 0.268649313082798 (4.19299e-09% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 0.2686493130763812 (2.38853e-09% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 0.2686493130708934 (2.04275e-09% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 0.2686493130667944 (1.52578e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 0.2686493130651829 (5.99848e-10% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 0.2686493130645911 (2.20289e-10% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 0.2686493130640042 (2.1847e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 0.2686493130635511 (1.68673e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 0.2686493130631626 (1.44579e-10% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 0.2686493130629992 (6.0832e-11% change)
-Finished solving for bands 1 to 4 after 41 iterations.
-freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675
-elapsed time for k point: 0.2500956058502197
-zparity:, 1, 0.991845764322559, -0.9993165778921825, 0.9263952713918745, 0.734287985500236
-yparity:, 1, -0.9999999941669303, 0.9999999948774843, 0.9999993171367377, -0.999990343487298
-solve_kpoint (0.39,0,0):
-Solving for bands 1 to 4...
- linmin: converged after 5 iterations.
- iteration 1: trace = 0.6221572131381576 (6.85988% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 0.6115306387019994 (1.72273% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 0.6092236100640738 (0.377968% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 0.6078935744602465 (0.218555% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 0.6073391521679113 (0.0912455% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 0.6070826550178682 (0.0422419% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 0.6070081174319568 (0.0122788% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 0.6069403390784771 (0.0111666% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 0.6069054512212717 (0.00574832% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 0.6068924091656944 (0.00214897% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 0.6068870095060079 (0.000889727% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 0.6068853033452281 (0.000281134% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 0.6068844690828896 (0.000137466% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 0.6068841755207711 (4.8372e-05% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 0.6068840418585739 (2.20243e-05% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 0.6068839789046552 (1.03733e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 0.6068839547900675 (3.97351e-06% change)
- linmin: converged after 15 iterations.
- iteration 18: trace = 0.6068839452457329 (1.57268e-06% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 0.6068839423137347 (4.83123e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 0.6068839407794916 (2.52807e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 0.6068839400027517 (1.27988e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 0.6068839396340783 (6.07486e-08% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 0.6068839395282147 (1.74438e-08% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 0.6068839394969752 (5.14754e-09% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 0.6068839394888997 (1.33064e-09% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 0.6068839394859056 (4.93366e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 0.6068839394838392 (3.40485e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 0.6068839394826193 (2.01013e-10% change)
- linmin: converged after 8 iterations.
- iteration 29: trace = 0.6068839394820106 (1.00305e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 0.6068839394817216 (4.76188e-11% change)
-Finished solving for bands 1 to 4 after 30 iterations.
-freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163
-elapsed time for k point: 0.1849842071533203
-zparity:, 2, 0.8497976290527355, -0.8562083115829646, 0.613504714456493, 0.7040493643450679
-yparity:, 2, -0.9999999782411549, 0.9999997901628059, 1.000005868341607, -0.9999353452610711
-solve_kpoint (0.68,0,0):
-Solving for bands 1 to 4...
- linmin: converged after 6 iterations.
- iteration 1: trace = 1.264470565181613 (5.39004% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 1.235883601229645 (2.28663% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.224582577450968 (0.918608% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 1.218161286419984 (0.525744% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 1.214962361809651 (0.262948% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.212817357015784 (0.176705% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 1.211094436566093 (0.14216% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 1.209359468510491 (0.143359% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.208547294324885 (0.0671799% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.208042238043626 (0.0417991% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 1.207823296097657 (0.0181253% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.207749466955793 (0.00611276% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 1.207719818833629 (0.00245485% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 1.207710829504941 (0.000744325% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 1.207706751669003 (0.000337651% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 1.207705249394497 (0.000124391% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 1.207704786572437 (3.83224e-05% change)
- linmin: converged after 15 iterations.
- iteration 18: trace = 1.207704628833395 (1.30611e-05% change)
- linmin: converged after 17 iterations.
- iteration 19: trace = 1.207704566628019 (5.15071e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 1.207704535783024 (2.55402e-06% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 1.207704518965968 (1.39248e-06% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 1.207704506350417 (1.04459e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 1.207704497493669 (7.33354e-07% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.20770449198717 (4.55948e-07% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.207704488731007 (2.69616e-07% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 1.207704487630344 (9.11368e-08% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 1.207704487187936 (3.66322e-08% change)
- linmin: converged after 19 iterations.
- iteration 28: trace = 1.207704487019392 (1.39558e-08% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 1.207704486953282 (5.474e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 1.207704486927158 (2.16307e-09% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 1.207704486920011 (5.91798e-10% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 1.207704486917498 (2.08052e-10% change)
- linmin: converged after 7 iterations.
- iteration 33: trace = 1.207704486916823 (5.59108e-11% change)
-Finished solving for bands 1 to 4 after 33 iterations.
-freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058
-elapsed time for k point: 0.20388221740722656
-zparity:, 3, 0.6430471097756447, -0.5132970565001864, 0.749333227902697, -0.5174581396280994
-yparity:, 3, -1.0000092437102739, 0.9999867307863455, -0.9999773484878718, 0.9999739527336347
-solve_kpoint (0.97,0,0):
-Solving for bands 1 to 4...
- linmin: converged after 6 iterations.
- iteration 1: trace = 1.937534840468752 (4.15315% change)
- linmin: converged after 6 iterations.
- iteration 2: trace = 1.902810987183435 (1.80837% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 1.89274028835154 (0.530658% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 1.888078677878067 (0.246593% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 1.885790637832564 (0.121257% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 1.884495797860613 (0.0686866% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 1.883742431334522 (0.0399851% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 1.883417285430755 (0.0172621% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 1.883289886588927 (0.00676447% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 1.883239300159769 (0.0026861% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 1.883213276357905 (0.00138187% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 1.883202552103174 (0.000569467% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 1.883195968261392 (0.000349609% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 1.883193887272418 (0.000110503% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 1.883193169554699 (3.81117e-05% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 1.883192877574137 (1.55045e-05% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 1.88319279458978 (4.40658e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 1.883192759151877 (1.8818e-06% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 1.883192748042752 (5.89909e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 1.883192744742938 (1.75224e-07% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 1.883192743542448 (6.37476e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 1.883192743093157 (2.38579e-08% change)
- linmin: converged after 11 iterations.
- iteration 23: trace = 1.883192742911179 (9.66329e-09% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 1.883192742851265 (3.18149e-09% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 1.883192742827555 (1.25902e-09% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 1.883192742817964 (5.09294e-10% change)
- linmin: converged after 9 iterations.
- iteration 27: trace = 1.883192742814812 (1.67383e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 1.883192742813691 (5.95203e-11% change)
-Finished solving for bands 1 to 4 after 28 iterations.
-freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057
-elapsed time for k point: 0.17328834533691406
-zparity:, 4, 0.9505599456752065, -0.795378249423283, 0.2909593295980241, -0.2599400191523577
-yparity:, 4, -0.9999756485606782, 0.9999734198098535, -0.9999951573073973, 1.000002402143964
-solve_kpoint (1.26,0,0):
-Solving for bands 1 to 4...
- linmin: converged after 7 iterations.
- iteration 1: trace = 2.691331240743783 (1.92976% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 2.671295720214913 (0.747228% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 2.664766792343676 (0.24471% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.656412156555789 (0.314014% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 2.640040929367222 (0.618196% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 2.625855470542893 (0.538767% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 2.61859509533755 (0.276878% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.614863948572113 (0.142588% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.611559983025121 (0.126433% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.608574632724415 (0.114378% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.606864668769023 (0.0655732% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 2.605988524621448 (0.0336148% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.605290071043019 (0.0268055% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 2.604861354163475 (0.016457% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 2.604545510497537 (0.0121259% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 2.604368153526517 (0.00680975% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 2.604272749286691 (0.00366331% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 2.604204130108292 (0.0026349% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 2.604166865970903 (0.00143093% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 2.604146033707185 (0.000799962% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 2.604132293019618 (0.000527648% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.604120260624077 (0.000462051% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 2.604114500336466 (0.000221199% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 2.604111450417451 (0.000117119% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 2.604109427544265 (7.768e-05% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 2.604108092320861 (5.12737e-05% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 2.604107084206233 (3.87125e-05% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 2.60410665152511 (1.66153e-05% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 2.604106383464846 (1.02938e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 2.604106241639464 (5.44622e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 2.604106139753172 (3.91252e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 2.60410607419584 (2.51746e-06% change)
- linmin: converged after 12 iterations.
- iteration 33: trace = 2.604106025604114 (1.86597e-06% change)
- linmin: converged after 12 iterations.
- iteration 34: trace = 2.604105990411492 (1.35143e-06% change)
- linmin: converged after 25 iterations.
- iteration 35: trace = 2.60410597070486 (7.56752e-07% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 2.604105962023718 (3.33364e-07% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 2.604105957861818 (1.59821e-07% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 2.604105955505369 (9.04897e-08% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 2.604105953483433 (7.76441e-08% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 2.604105952144455 (5.1418e-08% change)
- linmin: converged after 2 iterations.
- iteration 41: trace = 2.604105951136531 (3.87052e-08% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 2.604105950573186 (2.16329e-08% change)
- linmin: converged after 2 iterations.
- iteration 43: trace = 2.604105950242608 (1.26945e-08% change)
- linmin: converged after 2 iterations.
- iteration 44: trace = 2.604105950072068 (6.54891e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 2.604105949971554 (3.8598e-09% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 2.604105949909474 (2.38395e-09% change)
- linmin: converged after 11 iterations.
- iteration 47: trace = 2.604105949872306 (1.42729e-09% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 2.60410594984933 (8.8231e-10% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 2.604105949833435 (6.10376e-10% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 2.604105949821812 (4.46322e-10% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 2.604105949814575 (2.7792e-10% change)
- linmin: converged after 13 iterations.
- iteration 52: trace = 2.604105949811262 (1.27201e-10% change)
- linmin: converged after 5 iterations.
- iteration 53: trace = 2.604105949809357 (7.31762e-11% change)
-Finished solving for bands 1 to 4 after 53 iterations.
-freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146
-elapsed time for k point: 0.3239586353302002
-zparity:, 5, 0.989433203647212, -0.9410345597944496, -0.9057097520341679, 0.12590511654500938
-yparity:, 5, -0.9999341958042025, 0.9999920496328631, -0.9999957145770669, 1.0000214447225875
-solve_kpoint (1.55,0,0):
-Solving for bands 1 to 4...
- linmin: converged after 5 iterations.
- iteration 1: trace = 3.266395069778824 (2.05094% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 3.232377355632402 (1.0469% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 3.204495549827901 (0.866315% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 3.187386698865646 (0.535331% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 3.178841158371629 (0.268465% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 3.174359784711398 (0.141075% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 3.172271429703166 (0.0658099% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 3.171344966966339 (0.0292093% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 3.171078223607465 (0.0084114% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 3.171008879397923 (0.00218679% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 3.170984754524611 (0.000760798% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 3.17097706778243 (0.000242409% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 3.170972828710284 (0.000133684% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 3.170971244290354 (4.99664e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 3.170970553226561 (2.17934e-05% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 3.170970265011881 (9.08916e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 3.170970164109814 (3.18206e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 3.170970121317302 (1.34951e-06% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 3.170970104220375 (5.3917e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 3.170970094225221 (3.15208e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 3.170970088061014 (1.94395e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 3.170970085145856 (9.19327e-08% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 3.170970083948772 (3.77514e-08% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 3.17097008353335 (1.31008e-08% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 3.170970083397891 (4.27185e-09% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 3.170970083352964 (1.41681e-09% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 3.170970083335021 (5.65851e-10% change)
- linmin: converged after 8 iterations.
- iteration 28: trace = 3.170970083326956 (2.54356e-10% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 3.170970083323871 (9.72916e-11% change)
-Finished solving for bands 1 to 4 after 29 iterations.
-freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502
-elapsed time for k point: 0.18056249618530273
-zparity:, 6, 0.9953267395056951, -0.9730766670040221, -0.986247911215252, 0.7878496622631198
-yparity:, 6, -0.9999079119735855, 0.9999964725103828, -1.000000377490359, 1.0001762821174565
-solve_kpoint (1.84,0,0):
-Solving for bands 1 to 4...
- linmin: converged after 5 iterations.
- iteration 1: trace = 3.70542176664522 (1.60572% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 3.680251297975054 (0.681603% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 3.671551008005009 (0.236685% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 3.667866331047656 (0.100408% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 3.666884708312741 (0.0267664% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 3.666380816936595 (0.0137426% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 3.666217749636358 (0.00444774% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 3.6661505829781 (0.00183206% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 3.666126412642431 (0.000659286% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 3.666119045925824 (0.00020094% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 3.66611614266722 (7.91916e-05% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 3.666115478266013 (1.81228e-05% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 3.666115258037461 (6.00714e-06% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 3.666115190515089 (1.8418e-06% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 3.666115174200297 (4.45016e-07% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 3.666115169279947 (1.34212e-07% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 3.666115167850354 (3.89947e-08% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 3.666115167237352 (1.67208e-08% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 3.666115166888864 (9.50563e-09% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 3.666115166571151 (8.6662e-09% change)
- large trace change predicted (1.8721e-08%)
- linmin: converged after 5 iterations.
- iteration 21: trace = 3.666115165884806 (1.87213e-08% change)
- large trace change predicted (4.39604e-08%)
- linmin: converged after 3 iterations.
- iteration 22: trace = 3.666115164273169 (4.39604e-08% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 3.666115161714989 (6.9779e-08% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 3.666115159305658 (6.57189e-08% change)
- linmin: converged after 22 iterations.
- iteration 25: trace = 3.666115157581601 (4.70268e-08% change)
- linmin: converged after 28 iterations.
- iteration 26: trace = 3.666115156371115 (3.30182e-08% change)
- linmin: converged after 17 iterations.
- iteration 27: trace = 3.666115155743585 (1.7117e-08% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 3.666115155488845 (6.94848e-09% change)
- linmin: converged after 9 iterations.
- iteration 29: trace = 3.66611515541628 (1.97934e-09% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 3.666115155394754 (5.87182e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 3.666115155388817 (1.61931e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 3.666115155387485 (3.63279e-11% change)
-Finished solving for bands 1 to 4 after 32 iterations.
-freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995
-elapsed time for k point: 0.1981034278869629
-zparity:, 7, 0.9973241081197969, -0.984353627051524, -0.9920656947485795, 0.9432892229195069
-yparity:, 7, -0.9998843493066407, 0.9999987176028036, -1.000004228955064, 1.000251295159799
-solve_kpoint (2.13,0,0):
-Solving for bands 1 to 4...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.179248358289504 (0.910349% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.167780338437884 (0.274781% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.165776414135161 (0.0480929% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.16489707270989 (0.0211109% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 4.164637936358549 (0.00622211% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.164446201568919 (0.00460398% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.164369177258053 (0.00184959% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.164344541357718 (0.00059159% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 4.1643375227512 (0.000168541% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.1643358438107 (4.03171e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.164335332889637 (1.2269e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.16433523099087 (2.44694e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.164335202539397 (6.83218e-07% change)
- linmin: converged after 13 iterations.
- iteration 14: trace = 4.1643351877567 (3.54983e-07% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.164335171932876 (3.79984e-07% change)
- large trace change predicted (1.02272e-06%)
- linmin: converged after 3 iterations.
- iteration 16: trace = 4.1643351293438 (1.02271e-06% change)
- large trace change predicted (8.89361e-06%)
- linmin: converged after 8 iterations.
- iteration 17: trace = 4.164334759043552 (8.89218e-06% change)
- near maximum in trace
- linmin: converged after 12 iterations.
- iteration 18: trace = 4.16316758638906 (0.0280318% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 4.163166876293172 (1.70566e-05% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 4.163166163752942 (1.71153e-05% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 4.163165449011131 (1.71682e-05% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 4.16316473228248 (1.7216e-05% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 4.163164013755316 (1.72592e-05% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 4.163163293593025 (1.72984e-05% change)
- linmin: converged after 9 iterations.
- iteration 25: trace = 4.163162571935903 (1.73343e-05% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 4.163161848902639 (1.73674e-05% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 4.163161124591937 (1.73981e-05% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 4.163160399084225 (1.74268e-05% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 4.163159672443065 (1.74541e-05% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 4.163158944716526 (1.74802e-05% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 4.163158215938651 (1.75054e-05% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 4.163157486130701 (1.75302e-05% change)
- linmin: converged after 12 iterations.
- iteration 33: trace = 4.163156755302264 (1.75547e-05% change)
- linmin: converged after 21 iterations.
- iteration 34: trace = 4.163156023429362 (1.75798e-05% change)
- linmin: converged after 12 iterations.
- iteration 35: trace = 4.163155290546891 (1.7604e-05% change)
- linmin: converged after 6 iterations.
- iteration 36: trace = 4.163154556597316 (1.76296e-05% change)
- linmin: converged after 5 iterations.
- iteration 37: trace = 4.163153821571862 (1.76555e-05% change)
- linmin: converged after 9 iterations.
- iteration 38: trace = 4.163153085450248 (1.76818e-05% change)
- linmin: converged after 8 iterations.
- iteration 39: trace = 4.163152348177279 (1.77095e-05% change)
- linmin: converged after 6 iterations.
- iteration 40: trace = 4.163151609704363 (1.77383e-05% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 4.163150869986995 (1.77682e-05% change)
- linmin: converged after 6 iterations.
- iteration 42: trace = 4.163150128967145 (1.77995e-05% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 4.163149386585701 (1.78322e-05% change)
- linmin: converged after 9 iterations.
- iteration 44: trace = 4.163148642780136 (1.78664e-05% change)
- linmin: converged after 10 iterations.
- iteration 45: trace = 4.163147897482164 (1.79023e-05% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 4.16314715062773 (1.79397e-05% change)
- linmin: converged after 12 iterations.
- iteration 47: trace = 4.163146402144422 (1.79788e-05% change)
- linmin: converged after 6 iterations.
- iteration 48: trace = 4.163145651958501 (1.80197e-05% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 4.163144899994773 (1.80624e-05% change)
- linmin: converged after 8 iterations.
- iteration 50: trace = 4.163144146176415 (1.81069e-05% change)
- linmin: converged after 10 iterations.
- iteration 51: trace = 4.163143390425138 (1.81534e-05% change)
- linmin: converged after 8 iterations.
- iteration 52: trace = 4.163142632661325 (1.82017e-05% change)
- linmin: converged after 5 iterations.
- iteration 53: trace = 4.163141872804288 (1.8252e-05% change)
- linmin: converged after 5 iterations.
- iteration 54: trace = 4.16314111077236 (1.83043e-05% change)
- linmin: converged after 9 iterations.
- iteration 55: trace = 4.163140346483049 (1.83585e-05% change)
- linmin: converged after 12 iterations.
- iteration 56: trace = 4.163139579853148 (1.84147e-05% change)
- linmin: converged after 6 iterations.
- iteration 57: trace = 4.163138810798954 (1.84729e-05% change)
- linmin: converged after 5 iterations.
- iteration 58: trace = 4.163138039236278 (1.85332e-05% change)
- linmin: converged after 8 iterations.
- iteration 59: trace = 4.163137265080522 (1.85955e-05% change)
- linmin: converged after 15 iterations.
- iteration 60: trace = 4.163136488246822 (1.86598e-05% change)
- linmin: converged after 5 iterations.
- iteration 61: trace = 4.163135708650155 (1.87262e-05% change)
- linmin: converged after 6 iterations.
- iteration 62: trace = 4.16313492620536 (1.87946e-05% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 4.163134140827234 (1.88651e-05% change)
- linmin: converged after 7 iterations.
- iteration 64: trace = 4.163133352430576 (1.89376e-05% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 4.163132560930322 (1.90121e-05% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 4.163131766241523 (1.90887e-05% change)
- linmin: converged after 10 iterations.
- iteration 67: trace = 4.163130968279442 (1.91674e-05% change)
- linmin: converged after 7 iterations.
- iteration 68: trace = 4.163130166959633 (1.9248e-05% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 4.163129362197923 (1.93307e-05% change)
- resetting CG direction...
- large trace change predicted (0.20048%)
- linmin: converged after 4 iterations.
- iteration 70: trace = 4.154754269036366 (0.201376% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 4.151730774648329 (0.0727984% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 4.150327728248673 (0.0338% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 4.149564355410396 (0.0183948% change)
- linmin: converged after 9 iterations.
- iteration 74: trace = 4.149045216918441 (0.0125115% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 4.148540739501984 (0.0121596% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 4.147913030488091 (0.015132% change)
- linmin: converged after 5 iterations.
- iteration 77: trace = 4.14696335293775 (0.0228979% change)
- linmin: converged after 5 iterations.
- iteration 78: trace = 4.145419664772184 (0.0372315% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 4.143768420700608 (0.0398409% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 4.142813620967517 (0.0230445% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 4.142427718641198 (0.00931542% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 4.142309326847935 (0.00285807% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 4.142270291862667 (0.000942353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 4.142259228354433 (0.000267088% change)
- linmin: converged after 4 iterations.
- iteration 85: trace = 4.142254098558954 (0.000123841% change)
- linmin: converged after 4 iterations.
- iteration 86: trace = 4.142251825495718 (5.4875e-05% change)
- linmin: converged after 5 iterations.
- iteration 87: trace = 4.142250854562075 (2.34398e-05% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 4.142250458252493 (9.56749e-06% change)
- linmin: converged after 6 iterations.
- iteration 89: trace = 4.142250016021885 (1.06761e-05% change)
- linmin: converged after 5 iterations.
- iteration 90: trace = 4.142249199751446 (1.9706e-05% change)
- linmin: converged after 5 iterations.
- iteration 91: trace = 4.142248059527486 (2.75267e-05% change)
- linmin: converged after 5 iterations.
- iteration 92: trace = 4.14224631521294 (4.21103e-05% change)
- linmin: converged after 6 iterations.
- iteration 93: trace = 4.142245417574321 (2.16703e-05% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 4.142245181154404 (5.70753e-06% change)
- linmin: converged after 2 iterations.
- iteration 95: trace = 4.142245107964157 (1.76692e-06% change)
- linmin: converged after 2 iterations.
- iteration 96: trace = 4.142245088102449 (4.79491e-07% change)
- linmin: converged after 2 iterations.
- iteration 97: trace = 4.142245076893952 (2.7059e-07% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 4.142245071669594 (1.26124e-07% change)
- linmin: converged after 2 iterations.
- iteration 99: trace = 4.142245069755909 (4.61992e-08% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 4.142245069000636 (1.82334e-08% change)
- linmin: converged after 3 iterations.
- iteration 101: trace = 4.142245068687432 (7.56123e-09% change)
- linmin: converged after 4 iterations.
- iteration 102: trace = 4.142245068426584 (6.29725e-09% change)
- linmin: converged after 2 iterations.
- iteration 103: trace = 4.14224506802549 (9.68302e-09% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 4.142245067241705 (1.89217e-08% change)
- linmin: converged after 2 iterations.
- iteration 105: trace = 4.142245066287538 (2.3035e-08% change)
- linmin: converged after 4 iterations.
- iteration 106: trace = 4.142245065572554 (1.72608e-08% change)
- linmin: converged after 2 iterations.
- iteration 107: trace = 4.142245065259731 (7.55203e-09% change)
- linmin: converged after 12 iterations.
- iteration 108: trace = 4.142245065162615 (2.34453e-09% change)
- linmin: converged after 3 iterations.
- iteration 109: trace = 4.142245065142515 (4.85231e-10% change)
- linmin: converged after 5 iterations.
- iteration 110: trace = 4.142245065136632 (1.42032e-10% change)
- linmin: converged after 2 iterations.
- iteration 111: trace = 4.142245065134214 (5.83864e-11% change)
-Finished solving for bands 1 to 4 after 111 iterations.
-freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313
-elapsed time for k point: 0.6705372333526611
-zparity:, 8, 0.9982486290503177, -0.9895791223046916, -0.9942480254116284, -0.9858374395357821
-yparity:, 8, -0.9998633636102361, 1.0000002772665153, -1.0000094946193563, -0.9998446077472626
-solve_kpoint (2.42,0,0):
-Solving for bands 1 to 4...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.665766465874563 (0.565815% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.659489395826522 (0.134625% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.658891363438755 (0.0128355% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.65871096353985 (0.00387224% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.658687038855446 (0.000513549% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.65868325667982 (8.11855e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.658682393128436 (1.85364e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.658682225170776 (3.60526e-06% change)
- linmin: converged after 34 iterations.
- iteration 9: trace = 4.658682176904288 (1.03605e-06% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.658682160894788 (3.43649e-07% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.658682157651009 (6.96287e-08% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 4.658682156823364 (1.77657e-08% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.658682156624814 (4.26193e-09% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.658682156534685 (1.93464e-09% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.658682156472834 (1.32767e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.658682156406861 (1.41613e-09% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.658682156300657 (2.2797e-09% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.658682156170637 (2.79091e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.658682156060237 (2.36978e-09% change)
- linmin: converged after 9 iterations.
- iteration 20: trace = 4.658682156016944 (9.29286e-10% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.658682156004986 (2.56691e-10% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 4.658682156001959 (6.49736e-11% change)
-Finished solving for bands 1 to 4 after 22 iterations.
-freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602
-elapsed time for k point: 0.13729071617126465
-zparity:, 9, 0.9987530861905035, -0.9924225574132503, -0.9954159207907368, -0.9908510257235786
-yparity:, 9, -0.9998459146893053, 1.000001510036795, -1.0000160082783978, -0.9998409671139477
-solve_kpoint (2.71,0,0):
-Solving for bands 1 to 4...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.231306463684254 (0.398399% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.226476483996172 (0.092371% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.225996832030691 (0.00917777% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.225846177241163 (0.00288284% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.225825962252783 (0.000386828% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.225822836954248 (5.98049e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 5.225822132024473 (1.34894e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 5.225821997941996 (2.56577e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 5.225821960503556 (7.16412e-07% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.225821946532259 (2.67351e-07% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.225821943078972 (6.60812e-08% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.225821942125431 (1.82467e-08% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.225821941909169 (4.13833e-09% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.225821941839987 (1.32385e-09% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.225821941820714 (3.68812e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.22582194181603 (8.96197e-11% change)
-Finished solving for bands 1 to 4 after 16 iterations.
-freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208
-elapsed time for k point: 0.10031270980834961
-zparity:, 10, 0.999058451884413, -0.9941385054596745, -0.996144476211231, -0.9934909746544984
-yparity:, 10, -0.999833271897719, 1.000002524621246, -1.0000230923335933, -0.9998348121389271
-solve_kpoint (3,0,0):
-Solving for bands 1 to 4...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.849410752654952 (0.287035% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.84554894659623 (0.0660422% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.845128893013053 (0.00718613% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.844992170146368 (0.00233912% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.844973984450393 (0.000311133% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 5.844971151658916 (4.84654e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 5.844970494856534 (1.12371e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 5.84497036803691 (2.16972e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 5.844970331184175 (6.30503e-07% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.844970316460044 (2.51911e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 5.844970312633015 (6.54756e-08% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.844970311596862 (1.77273e-08% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.844970311355159 (4.13524e-09% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.844970311278132 (1.31782e-09% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.844970311258017 (3.4415e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.844970311253993 (6.88361e-11% change)
-Finished solving for bands 1 to 4 after 16 iterations.
-freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105
-Felapsed time for k point: 0.10054993629455566
-zparity:, 11, 0.999257350936381, -0.9952507980580001, -0.9966396089669411, -0.9950905165813099
-yparity:, 11, -0.9998264814151208, 1.000003358403511, -1.0000301573652695, -0.9998331550675029
-Band 1 range: 0.08075820534047619 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106427 at Vector3<3.0, 0.0, 0.0>
-Band 2 range: 0.0855765355012531 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904504 at Vector3<3.0, 0.0, 0.0>
-Band 3 range: 0.3146996800331054 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738555 at Vector3<3.0, 0.0, 0.0>
-Band 4 range: 0.39467479434568814 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201543 at Vector3<3.0, 0.0, 0.0>
-total elapsed time for run: 2.530282735824585
-done
-/tmp/meepg15Lzl/test_strip-0: 2.53s
-
-/tmp/meepg15Lzl/test_subpixel_averaging-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.1, 0.0, 0.0>
- Vector3<0.2, 0.0, 0.0>
- Vector3<0.30000000000000004, 0.0, 0.0>
- Vector3<0.4, 0.0, 0.0>
- Vector3<0.5, 0.0, 0.0>
- Vector3<0.5, 0.1, 0.0>
- Vector3<0.5, 0.2, 0.0>
- Vector3<0.5, 0.30000000000000004, 0.0>
- Vector3<0.5, 0.4, 0.0>
- Vector3<0.5, 0.5, 0.0>
- Vector3<0.4, 0.4, 0.0>
- Vector3<0.3, 0.3, 0.0>
- Vector3<0.19999999999999996, 0.19999999999999996, 0.0>
- Vector3<0.09999999999999998, 0.09999999999999998, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0013666152954101562
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 16.43562660590545 (193.917% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 7.351920811739596 (76.3736% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.329941398682059 (14.9392% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.918442394744765 (6.71924% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.712255051629235 (3.54557% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.624721697129456 (1.54421% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.583016188267836 (0.744227% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.565960673646049 (0.305957% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.557351252900363 (0.1548% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.552443857308032 (0.0883436% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.550826665187532 (0.02913% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.550071017061157 (0.0136142% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.54966786513575 (0.00726417% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.549419098470304 (0.00448265% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.549201514030332 (0.00392093% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.549037844744959 (0.00294946% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 5.548889740788108 (0.00266904% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.548754804754168 (0.0024318% change)
- linmin: converged after 12 iterations.
- iteration 19: trace = 5.548644091159376 (0.00199531% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.548524364283067 (0.00215779% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.548418602726275 (0.00190614% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.54831793423716 (0.00181438% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.548235771340467 (0.00148087% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.548181174456428 (0.000984045% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.548144653663273 (0.00065825% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 5.548127351760882 (0.000311851% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.548121244542916 (0.000110077% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.548118926956611 (4.17725e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.548118170004834 (1.36434e-05% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.548117904025837 (4.79404e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.548117798474738 (1.90247e-06% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 5.548117757294501 (7.42238e-07% change)
- linmin: converged after 6 iterations.
- iteration 33: trace = 5.548117740307433 (3.06177e-07% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.548117733319903 (1.25944e-07% change)
- linmin: converged after 19 iterations.
- iteration 35: trace = 5.548117730674489 (4.76813e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 5.548117729177049 (2.69901e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 5.548117728234755 (1.6984e-08% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 5.548117727523406 (1.28214e-08% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 5.548117726999192 (9.44851e-09% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.548117726687245 (5.62257e-09% change)
- linmin: converged after 6 iterations.
- iteration 41: trace = 5.548117726496115 (3.44495e-09% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.548117726360592 (2.44269e-09% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.548117726206072 (2.78509e-09% change)
- linmin: converged after 12 iterations.
- iteration 44: trace = 5.548117726001958 (3.67898e-09% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.54811772579812 (3.674e-09% change)
- linmin: converged after 9 iterations.
- iteration 46: trace = 5.548117725621666 (3.18042e-09% change)
- linmin: converged after 4 iterations.
- iteration 47: trace = 5.548117725481585 (2.52485e-09% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 5.548117725398296 (1.50121e-09% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.548117725355051 (7.79445e-10% change)
- linmin: converged after 2 iterations.
- iteration 50: trace = 5.548117725335264 (3.56641e-10% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.548117725327502 (1.399e-10% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.548117725324898 (4.69373e-11% change)
-Finished solving for bands 2 to 8 after 52 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.14291024208068848
-solve_kpoint (0.1,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.581244026696291 (0.239558% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.573791920490353 (0.13361% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.571430967957674 (0.0423671% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.569951525526862 (0.0265576% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.569099786966754 (0.0152928% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.56841212629927 (0.0123486% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.567981960122088 (0.00772541% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.567696791864468 (0.0051217% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.567558435607942 (0.00248501% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.567469488484435 (0.00159761% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567431480620304 (0.00068268% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.567416724766421 (0.000265039% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567411215307065 (9.8959e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.567409796393752 (2.54861e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.567409186003689 (1.09636e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.567408898969302 (5.15562e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.567408776891885 (2.19272e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.567408723106277 (9.6608e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.567408704724663 (3.30165e-07% change)
- linmin: converged after 14 iterations.
- iteration 20: trace = 5.567408695925334 (1.58051e-07% change)
- linmin: converged after 17 iterations.
- iteration 21: trace = 5.567408689562829 (1.14281e-07% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.5674086808831 (1.55903e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.567408666017929 (2.67003e-07% change)
- linmin: converged after 7 iterations.
- iteration 24: trace = 5.567408645087845 (3.75939e-07% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.567408614756993 (5.44793e-07% change)
- large trace change predicted (2.01083e-06%)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.567408502821107 (2.01056e-06% change)
- near maximum in trace
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.566934829542728 (0.00850833% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 5.566934524365301 (5.48197e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.56693421917181 (5.48225e-06% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 5.566933914061373 (5.48076e-06% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.566933609120047 (5.47773e-06% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 5.566933304421815 (5.47336e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 5.566933000029539 (5.46786e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 5.566932695995904 (5.46142e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 5.566932392364325 (5.4542e-06% change)
- linmin: converged after 12 iterations.
- iteration 36: trace = 5.566932089169823 (5.44635e-06% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 5.566931786439851 (5.438e-06% change)
- linmin: converged after 5 iterations.
- iteration 38: trace = 5.566931484194996 (5.42929e-06% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 5.566931182449717 (5.42032e-06% change)
- linmin: converged after 5 iterations.
- iteration 40: trace = 5.566930881213081 (5.41118e-06% change)
- linmin: converged after 8 iterations.
- iteration 41: trace = 5.566930580489195 (5.40197e-06% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 5.566930280240772 (5.39343e-06% change)
- linmin: converged after 5 iterations.
- iteration 43: trace = 5.56692998053805 (5.38363e-06% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.566929681336541 (5.37462e-06% change)
- linmin: converged after 7 iterations.
- iteration 45: trace = 5.566929382625924 (5.36581e-06% change)
- linmin: converged after 6 iterations.
- iteration 46: trace = 5.566929084393262 (5.35722e-06% change)
- linmin: converged after 9 iterations.
- iteration 47: trace = 5.566928786623402 (5.34891e-06% change)
- linmin: converged after 8 iterations.
- iteration 48: trace = 5.566928489274805 (5.34134e-06% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 5.566928192377423 (5.33324e-06% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 5.566927895886632 (5.32593e-06% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 5.566927599780885 (5.31902e-06% change)
- linmin: converged after 16 iterations.
- iteration 52: trace = 5.566927304037658 (5.3125e-06% change)
- linmin: converged after 7 iterations.
- iteration 53: trace = 5.566927008617657 (5.3067e-06% change)
- linmin: converged after 10 iterations.
- iteration 54: trace = 5.566926713513174 (5.30103e-06% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 5.566926418706757 (5.29568e-06% change)
- linmin: converged after 6 iterations.
- iteration 56: trace = 5.566926124159851 (5.29102e-06% change)
- linmin: converged after 12 iterations.
- iteration 57: trace = 5.566925829865283 (5.28648e-06% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 5.566925535773461 (5.28284e-06% change)
- linmin: converged after 5 iterations.
- iteration 59: trace = 5.566925241879995 (5.27928e-06% change)
- linmin: converged after 8 iterations.
- iteration 60: trace = 5.566924948147853 (5.27638e-06% change)
- linmin: converged after 14 iterations.
- iteration 61: trace = 5.566924654550853 (5.27395e-06% change)
- linmin: converged after 18 iterations.
- iteration 62: trace = 5.56692436106193 (5.27201e-06% change)
- linmin: converged after 6 iterations.
- iteration 63: trace = 5.566924067654336 (5.27055e-06% change)
- linmin: converged after 11 iterations.
- iteration 64: trace = 5.566923774299564 (5.2696e-06% change)
- linmin: converged after 6 iterations.
- iteration 65: trace = 5.566923480981433 (5.26894e-06% change)
- linmin: converged after 6 iterations.
- iteration 66: trace = 5.566923187663264 (5.26895e-06% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 5.566922894329045 (5.26923e-06% change)
- linmin: converged after 11 iterations.
- iteration 68: trace = 5.566922600944731 (5.27013e-06% change)
- linmin: converged after 9 iterations.
- iteration 69: trace = 5.566922307489339 (5.27141e-06% change)
- resetting CG direction...
- large trace change predicted (0.0754139%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 5.562718791619934 (0.0755373% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 5.559516684727867 (0.0575803% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.556793013230669 (0.0490032% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.554011967145533 (0.0500602% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.552006920056384 (0.0361074% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 5.550548836833941 (0.0262657% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 5.549458227577396 (0.0196506% change)
- linmin: converged after 4 iterations.
- iteration 77: trace = 5.548474819513256 (0.0177224% change)
- linmin: converged after 4 iterations.
- iteration 78: trace = 5.547115065462505 (0.0245098% change)
- linmin: converged after 4 iterations.
- iteration 79: trace = 5.54523632209241 (0.0338746% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 5.543229181113321 (0.0362023% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 5.541884533460034 (0.0242604% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.541240204148623 (0.0116272% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 5.540832188466245 (0.00736353% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.540632131596888 (0.00361066% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 5.54055123405935 (0.00146009% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 5.540517986674275 (0.000600075% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 5.54050759681813 (0.000187525% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 5.540503182668203 (7.96705e-05% change)
- linmin: converged after 3 iterations.
- iteration 89: trace = 5.540501522881892 (2.99573e-05% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.540500791169053 (1.32066e-05% change)
- linmin: converged after 12 iterations.
- iteration 91: trace = 5.540500269687302 (9.41218e-06% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.540499832753722 (7.88618e-06% change)
- linmin: converged after 4 iterations.
- iteration 93: trace = 5.540499529984381 (5.46466e-06% change)
- linmin: converged after 4 iterations.
- iteration 94: trace = 5.540499207679251 (5.81726e-06% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 5.5404987855849 (7.61835e-06% change)
- linmin: converged after 3 iterations.
- iteration 96: trace = 5.540498246200904 (9.7353e-06% change)
- linmin: converged after 5 iterations.
- iteration 97: trace = 5.54049771640989 (9.56216e-06% change)
- linmin: converged after 5 iterations.
- iteration 98: trace = 5.540497529954368 (3.36532e-06% change)
- linmin: converged after 26 iterations.
- iteration 99: trace = 5.540497433377698 (1.7431e-06% change)
- linmin: converged after 2 iterations.
- iteration 100: trace = 5.540497373186719 (1.08638e-06% change)
- linmin: converged after 8 iterations.
- iteration 101: trace = 5.540497320981153 (9.42254e-07% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 5.540497282513331 (6.94303e-07% change)
- linmin: converged after 22 iterations.
- iteration 103: trace = 5.540497260435645 (3.98478e-07% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 5.540497250242961 (1.83967e-07% change)
- linmin: converged after 5 iterations.
- iteration 105: trace = 5.540497245842277 (7.94276e-08% change)
- linmin: converged after 25 iterations.
- iteration 106: trace = 5.540497244298808 (2.78579e-08% change)
- linmin: converged after 6 iterations.
- iteration 107: trace = 5.540497243578134 (1.30074e-08% change)
- linmin: converged after 4 iterations.
- iteration 108: trace = 5.54049724325245 (5.87825e-09% change)
- linmin: converged after 20 iterations.
- iteration 109: trace = 5.540497243063644 (3.40773e-09% change)
- linmin: converged after 13 iterations.
- iteration 110: trace = 5.54049724295813 (1.90441e-09% change)
- linmin: converged after 4 iterations.
- iteration 111: trace = 5.540497242914601 (7.85663e-10% change)
- linmin: converged after 10 iterations.
- iteration 112: trace = 5.540497242879622 (6.3132e-10% change)
- linmin: converged after 6 iterations.
- iteration 113: trace = 5.540497242844232 (6.38758e-10% change)
- linmin: converged after 14 iterations.
- iteration 114: trace = 5.540497242790359 (9.72356e-10% change)
- linmin: converged after 22 iterations.
- iteration 115: trace = 5.540497242723196 (1.21221e-09% change)
- linmin: converged after 4 iterations.
- iteration 116: trace = 5.540497242658466 (1.16831e-09% change)
- linmin: converged after 4 iterations.
- iteration 117: trace = 5.540497242618899 (7.14134e-10% change)
- linmin: converged after 5 iterations.
- iteration 118: trace = 5.540497242597729 (3.82107e-10% change)
- linmin: converged after 8 iterations.
- iteration 119: trace = 5.540497242587063 (1.92512e-10% change)
- linmin: converged after 6 iterations.
- iteration 120: trace = 5.540497242581516 (1.00111e-10% change)
- linmin: converged after 7 iterations.
- iteration 121: trace = 5.540497242579411 (3.79927e-11% change)
-Finished solving for bands 1 to 8 after 121 iterations.
-tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209
-elapsed time for k point: 0.39432668685913086
-solve_kpoint (0.2,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.514285081906886 (0.408522% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.503847029230354 (0.18947% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.500839358016661 (0.0546616% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.499875093768127 (0.0175309% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.499509680600027 (0.00664425% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.499421768472869 (0.00159856% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 5.499394110717561 (0.000502922% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.499382402903615 (0.000212893% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.499378154644921 (7.72498e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.499376203354411 (3.5482e-05% change)
- linmin: converged after 28 iterations.
- iteration 11: trace = 5.499375450158951 (1.3696e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.499375151065394 (5.43868e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.499375016510649 (2.44673e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.499374968565682 (8.71826e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.499374952684473 (2.88782e-07% change)
- linmin: converged after 27 iterations.
- iteration 16: trace = 5.499374947904291 (8.69223e-08% change)
- linmin: converged after 30 iterations.
- iteration 17: trace = 5.499374946845082 (1.92605e-08% change)
- linmin: converged after 22 iterations.
- iteration 18: trace = 5.499374946585426 (4.72156e-09% change)
- linmin: converged after 21 iterations.
- iteration 19: trace = 5.499374946459588 (2.28822e-09% change)
- linmin: converged after 10 iterations.
- iteration 20: trace = 5.499374946407673 (9.44015e-10% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.499374946373185 (6.27125e-10% change)
- linmin: converged after 11 iterations.
- iteration 22: trace = 5.499374946343336 (5.42771e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.499374946309961 (6.06872e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.499374946288365 (3.927e-10% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.49937494627979 (1.55933e-10% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 5.499374946276062 (6.77838e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027
-elapsed time for k point: 0.08687067031860352
-solve_kpoint (0.3,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.496167070060288 (0.277969% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.48951410918756 (0.121121% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.487056111946258 (0.0447863% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.486204983972192 (0.0155128% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.485739009583129 (0.00849393% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.485576060149454 (0.00297046% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.485498517235754 (0.00141359% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.4854697726345 (0.000524012% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.485462046450172 (0.000140848% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.485459952535452 (3.81721e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.485459325302669 (1.14345e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.485459175740715 (2.72652e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.48545912322453 (9.57371e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.485459100856747 (4.07765e-07% change)
- linmin: converged after 18 iterations.
- iteration 15: trace = 5.485459090161682 (1.94971e-07% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 5.485459083892913 (1.1428e-07% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 5.485459081556675 (4.25897e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.485459080639317 (1.67234e-08% change)
- linmin: converged after 20 iterations.
- iteration 19: trace = 5.485459080258163 (6.94844e-09% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.485459080162861 (1.73736e-09% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.485459080117774 (8.21929e-10% change)
- linmin: converged after 9 iterations.
- iteration 22: trace = 5.485459080098432 (3.52602e-10% change)
- linmin: converged after 9 iterations.
- iteration 23: trace = 5.485459080091234 (1.31232e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.48545908008786 (6.14953e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664
-elapsed time for k point: 0.08008432388305664
-solve_kpoint (0.4,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.518147023690265 (0.240192% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.511306601559527 (0.124039% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.507821987779131 (0.0632466% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.506156809291422 (0.0302375% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.505014443436545 (0.0207492% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.504615742668776 (0.00724276% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.504452843729419 (0.00295936% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.504400792832037 (0.000945619% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.504383084535172 (0.000321712% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.504375542715457 (0.000137015% change)
- linmin: converged after 11 iterations.
- iteration 11: trace = 5.504370385451025 (9.36939e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.504366787323759 (6.53686e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.50436412949685 (4.82858e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.504362897098144 (2.23895e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.504362429759303 (8.49034e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.504362239277652 (3.46056e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.504362167575551 (1.30264e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.504362121909873 (8.29627e-07% change)
- linmin: converged after 9 iterations.
- iteration 19: trace = 5.504362102222033 (3.57677e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.504362095716729 (1.18185e-07% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.50436209349091 (4.04374e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.504362092750767 (1.34465e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.504362092362589 (7.0522e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.504362092126027 (4.29772e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.504362092030183 (1.74124e-09% change)
- linmin: converged after 7 iterations.
- iteration 26: trace = 5.504362091995298 (6.3377e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 5.504362091984236 (2.00973e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.504362091981035 (5.81538e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121
-elapsed time for k point: 0.09255266189575195
-solve_kpoint (0.5,0,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.568069373818651 (0.237536% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.559193679621043 (0.159531% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.553720061373713 (0.0985091% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.550289343178518 (0.0617924% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.547642553180676 (0.0476988% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.546434996600942 (0.0217694% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.545492367565776 (0.0169967% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.544438112740755 (0.0190128% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.54289953368532 (0.0277538% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.541163952443529 (0.0313167% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.539949116714777 (0.0219262% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.539378334259752 (0.0103036% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.539089347189849 (0.00521709% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.538953243693498 (0.00245718% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.538903646652978 (0.000895427% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538883460689273 (0.00036444% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.538874617647872 (0.000159654% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.538870014294863 (8.31099e-05% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.538868744327795 (2.29283e-05% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.538868254295127 (8.84716e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.538867928490538 (5.88215e-06% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.538867707344402 (3.99262e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.538867530765351 (3.188e-06% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.53886739246035 (2.49699e-06% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.538867282536007 (1.9846e-06% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 5.538867196566912 (1.55211e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 5.53886710778676 (1.60286e-06% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.538866990688422 (2.11412e-06% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 5.538866904154337 (1.56231e-06% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 5.5388668773404 (4.84105e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 5.538866871035908 (1.13823e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.538866869549318 (2.68393e-08% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.538866869089929 (8.2939e-09% change)
- linmin: converged after 9 iterations.
- iteration 34: trace = 5.538866868883861 (3.7204e-09% change)
- linmin: converged after 2 iterations.
- iteration 35: trace = 5.538866868762629 (2.18877e-09% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 5.538866868693164 (1.25413e-09% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.538866868641579 (9.31335e-10% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 5.538866868615235 (4.75609e-10% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.538866868605667 (1.72749e-10% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.538866868600115 (1.00237e-10% change)
- linmin: converged after 18 iterations.
- iteration 41: trace = 5.538866868590837 (1.67506e-10% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 5.538866868573501 (3.12995e-10% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.538866868559314 (2.56133e-10% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 5.538866868553965 (9.65651e-11% change)
-Finished solving for bands 1 to 8 after 44 iterations.
-tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787
-elapsed time for k point: 0.14505529403686523
-solve_kpoint (0.5,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.49084703371067 (1.61896% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.441600081941158 (0.900932% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.429126780898647 (0.229484% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 5.42393492273816 (0.0956755% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.421565451083263 (0.043695% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.420537496868401 (0.0189623% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.420079757030999 (0.0084449% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.419922055599717 (0.00290962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.41986180279239 (0.0011117% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.419827885109797 (0.000625805% change)
- linmin: converged after 7 iterations.
- iteration 11: trace = 5.419810483680828 (0.00032107% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.419802182901274 (0.000153156% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.419798984057767 (5.90214e-05% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 5.419798149677873 (1.5395e-05% change)
- linmin: converged after 19 iterations.
- iteration 15: trace = 5.419797850965123 (5.51151e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.419797772322707 (1.45102e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.419797748546657 (4.38689e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.419797738573457 (1.84014e-07% change)
- linmin: converged after 28 iterations.
- iteration 19: trace = 5.419797735608387 (5.47081e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.419797734088983 (2.80343e-08% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.419797733507751 (1.07243e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.419797733261651 (4.54074e-09% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 5.419797733151186 (2.03818e-09% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.419797733102886 (8.91178e-10% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 5.419797733077012 (4.77389e-10% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.419797733054175 (4.21376e-10% change)
- linmin: converged after 12 iterations.
- iteration 27: trace = 5.419797733031989 (4.09348e-10% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.419797733016723 (2.81671e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.419797733003429 (2.45274e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 5.419797732989451 (2.57909e-10% change)
- linmin: converged after 5 iterations.
- iteration 31: trace = 5.419797732973866 (2.87571e-10% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.419797732963333 (1.94341e-10% change)
- linmin: converged after 15 iterations.
- iteration 33: trace = 5.419797732958386 (9.12793e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383
-elapsed time for k point: 0.10951733589172363
-solve_kpoint (0.5,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.256818585098777 (0.493447% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.245516345181586 (0.215233% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.242859628587797 (0.0506602% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.241807773571611 (0.0200646% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.241214212212757 (0.0113242% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.241004235880027 (0.00400633% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.240908449573547 (0.00182765% change)
- linmin: converged after 8 iterations.
- iteration 8: trace = 5.240871741597562 (0.000700415% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.240860283765952 (0.000218625% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.24085547787732 (9.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.24085436469908 (2.12404e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.240854047786506 (6.04696e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.240853968321852 (1.51625e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.240853954364818 (2.66312e-07% change)
- linmin: converged after 21 iterations.
- iteration 15: trace = 5.240853950743152 (6.91045e-08% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.240853949555009 (2.26708e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.240853949179418 (7.1666e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.24085394903169 (2.81878e-09% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 5.240853948976921 (1.04503e-09% change)
- linmin: converged after 7 iterations.
- iteration 20: trace = 5.240853948939872 (7.06936e-10% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.240853948883506 (1.07552e-09% change)
- linmin: converged after 12 iterations.
- iteration 22: trace = 5.240853948833732 (9.49722e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.240853948802546 (5.9505e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.2408539487782 (4.6454e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.240853948757238 (3.99988e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.240853948742307 (2.84883e-10% change)
- linmin: converged after 6 iterations.
- iteration 27: trace = 5.240853948735852 (1.23172e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.24085394873392 (3.68602e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879
-elapsed time for k point: 0.09278464317321777
-solve_kpoint (0.5,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.102472984911209 (0.252117% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.098134061052458 (0.0850719% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.097086787865958 (0.0205444% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.096768814833572 (0.00623852% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 5.096616721986512 (0.00298415% change)
- linmin: converged after 11 iterations.
- iteration 6: trace = 5.096573167031289 (0.000854589% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.09655638746635 (0.000329233% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.096548105121041 (0.000162509% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.096545531978274 (5.0488e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.096544550143703 (1.92647e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.096544340283728 (4.11769e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.096544290838737 (9.70167e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.096544277659972 (2.58582e-07% change)
- linmin: converged after 29 iterations.
- iteration 14: trace = 5.09654427463756 (5.93032e-08% change)
- linmin: converged after 10 iterations.
- iteration 15: trace = 5.09654427395644 (1.33644e-08% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 5.096544273766979 (3.71744e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.096544273707485 (1.16735e-09% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 5.096544273672404 (6.88334e-10% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.096544273621834 (9.92228e-10% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.096544273547277 (1.4629e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.096544273463907 (1.63581e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.096544273426183 (7.40197e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.096544273414493 (2.29358e-10% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.096544273410623 (7.59472e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107
-elapsed time for k point: 0.08013653755187988
-solve_kpoint (0.5,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.010057945911666 (0.187174% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.007389306962615 (0.0532798% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.006708599252572 (0.013595% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.006529313190668 (0.00358098% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.006460294301386 (0.00137859% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.006443503180252 (0.00033539% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.006439503863547 (7.98834e-05% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 5.006437606345092 (3.79016e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.006436969310696 (1.27243e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.006436638672482 (6.60426e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.006436539138802 (1.98811e-06% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.006436508297354 (6.16036e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.006436499318632 (1.79344e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.006436497214724 (4.20241e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.006436496812789 (8.02835e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.006436496713432 (1.98458e-09% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 5.006436496673633 (7.94962e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.006436496632916 (8.13288e-10% change)
- large trace change predicted (2.20203e-09%)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.00643649652267 (2.20209e-09% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.006436496410074 (2.24903e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.006436496357252 (1.05508e-09% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.006436496344436 (2.55999e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.006436496341392 (6.07975e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162
-elapsed time for k point: 0.07658171653747559
-solve_kpoint (0.5,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.978993750422817 (0.165173% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.976790350142001 (0.0442637% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.976199668874767 (0.0118694% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.976051201931419 (0.00298359% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.975999205362136 (0.00104494% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.97598715319157 (0.000242206% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.975985115125745 (4.0958e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.975984462449285 (1.31165e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.975984347964267 (2.30075e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.975984301211392 (9.3957e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.975984281705346 (3.92004e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.975984271802613 (1.99011e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.975984267495479 (8.65584e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.975984266162572 (2.67868e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.975984265893698 (5.40343e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.975984265819599 (1.48913e-09% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.975984265774336 (9.09618e-10% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.975984265706848 (1.35628e-09% change)
- large trace change predicted (3.48831e-09%)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.975984265533264 (3.48843e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.975984265426868 (2.13819e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.975984265393327 (6.74061e-10% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.975984265384501 (1.77386e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.975984265381786 (5.45475e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192
-elapsed time for k point: 0.07624125480651855
-solve_kpoint (0.4,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.042733647627903 (0.320838% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.038219694841113 (0.0895541% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.036942796213694 (0.0253475% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.036564344352595 (0.00751381% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.03642296255062 (0.00280715% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.036388281602308 (0.000688605% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.036381725959922 (0.000130166% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.036379322251285 (4.77269e-05% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.03637878032387 (1.07603e-05% change)
- linmin: converged after 6 iterations.
- iteration 10: trace = 5.036378561422627 (4.3464e-06% change)
- linmin: converged after 8 iterations.
- iteration 11: trace = 5.036378497300782 (1.27317e-06% change)
- linmin: converged after 13 iterations.
- iteration 12: trace = 5.036378484106164 (2.61986e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.036378480911186 (6.3438e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.036378480128368 (1.55433e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.036378479954637 (3.44953e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.036378479909356 (8.99081e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.036378479898021 (2.25061e-10% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 5.036378479895269 (5.4634e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121
-elapsed time for k point: 0.060353994369506836
-solve_kpoint (0.3,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.219132352141679 (0.375945% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.211330254295405 (0.149602% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.20858245950052 (0.0527412% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.207407191114015 (0.0225666% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.206822251346342 (0.0112335% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.206658183445304 (0.00315107% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.20660483148758 (0.00102469% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.20657931918138 (0.00049% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.206571394211488 (0.000152211% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.206567821670558 (6.8616e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.206566741448365 (2.07473e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.20656643549153 (5.87636e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.206566333737292 (1.95434e-06% change)
- linmin: converged after 28 iterations.
- iteration 14: trace = 5.206566313192127 (3.94601e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.20656630808215 (9.81449e-08% change)
- linmin: converged after 19 iterations.
- iteration 16: trace = 5.206566306507293 (3.02475e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.206566306040203 (8.97116e-09% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.206566305927631 (2.16212e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.206566305900048 (5.29779e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.206566305893741 (1.21135e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.206566305891688 (3.944e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725
-elapsed time for k point: 0.07018041610717773
-solve_kpoint (0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.468255756300297 (0.622033% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.443223812749509 (0.458819% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.431408622421309 (0.217298% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.424242356553076 (0.132028% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.419937630971117 (0.0793924% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.418538990855433 (0.0258088% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.417857723333922 (0.0125737% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.417473338575125 (0.00709503% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.417269129397949 (0.00376953% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.41714555781147 (0.00228109% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.417106189895422 (0.000726731% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.417094578169102 (0.000214353% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.417090464907004 (7.59312e-05% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.417089421745808 (1.92569e-05% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 5.417088991729026 (7.93815e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.417088858207652 (2.46482e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.417088812132396 (8.50554e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.417088788744948 (4.31735e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.417088776389877 (2.28076e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 5.417088770680252 (1.054e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 5.417088768321159 (4.35491e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.417088767370201 (1.75548e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 5.417088766928408 (8.15553e-09% change)
- linmin: converged after 12 iterations.
- iteration 24: trace = 5.417088766681358 (4.56057e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.417088766554599 (2.33998e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 5.417088766462992 (1.69107e-09% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 5.417088766423705 (7.25255e-10% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 5.417088766412561 (2.05719e-10% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 5.417088766409226 (6.15665e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039
-elapsed time for k point: 0.09620022773742676
-solve_kpoint (0.1,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.600203178995311 (1.22609% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.549498902382186 (0.909518% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.534363640710798 (0.273104% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.527272903157751 (0.128204% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.524129966091428 (0.0568785% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.52324406186046 (0.0160383% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.522921055216095 (0.0058483% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.522756882379626 (0.00297262% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.522649699667799 (0.00194077% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.522540696465946 (0.00197377% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.522446530191273 (0.00170514% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 5.52235836692082 (0.00159647% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.522300787118438 (0.00104267% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.522279640461873 (0.000382933% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.522271218168396 (0.000152515% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.522268619550545 (4.70571e-05% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.522267958292776 (1.19744e-05% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.522267758808986 (3.61235e-06% change)
- linmin: converged after 26 iterations.
- iteration 19: trace = 5.522267691563958 (1.21771e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 5.522267667644735 (4.33141e-07% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 5.522267656938331 (1.93877e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.522267653032546 (7.07279e-08% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 5.522267650435389 (4.70306e-08% change)
- linmin: converged after 15 iterations.
- iteration 24: trace = 5.522267648929529 (2.72689e-08% change)
- linmin: converged after 14 iterations.
- iteration 25: trace = 5.522267648122501 (1.46141e-08% change)
- linmin: converged after 9 iterations.
- iteration 26: trace = 5.522267647458117 (1.2031e-08% change)
- linmin: converged after 13 iterations.
- iteration 27: trace = 5.522267646822611 (1.15081e-08% change)
- linmin: converged after 9 iterations.
- iteration 28: trace = 5.522267646290404 (9.63748e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 5.522267645965355 (5.88614e-09% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 5.522267645803392 (2.93291e-09% change)
- linmin: converged after 13 iterations.
- iteration 31: trace = 5.522267645716786 (1.56831e-09% change)
- linmin: converged after 10 iterations.
- iteration 32: trace = 5.522267645679249 (6.7974e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 5.5222676456676 (2.10952e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.522267645664736 (5.18535e-11% change)
-Finished solving for bands 1 to 8 after 34 iterations.
-tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004
-elapsed time for k point: 0.11208176612854004
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 5.623415343691101 (0.88056% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 5.591482468802228 (0.569472% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.58095164094521 (0.188514% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 5.575083172748464 (0.105207% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.571618736265576 (0.0621607% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.570324107769147 (0.0232388% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.569686885898596 (0.0114402% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.56946065641996 (0.00406188% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.569345938950607 (0.00205978% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.569289951401199 (0.00100529% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.569256880778933 (0.000593805% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.569207664431419 (0.000883719% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.569133502533722 (0.00133165% change)
- large trace change predicted (0.00839774%)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.568684283169137 (0.00806656% change)
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 15: trace = 5.566399673571812 (0.0410344% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 5.565541202156408 (0.0154236% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 5.564709389444946 (0.0149469% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.563783785538985 (0.0166348% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 5.562668009218461 (0.0200563% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 5.561318638169371 (0.0242606% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 5.559813631604856 (0.0270657% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.558314619082214 (0.0269652% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.55696024545343 (0.0243696% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.555789587385524 (0.0210687% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 5.554798721782022 (0.0178364% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.553994114886711 (0.0144859% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 5.55337603656394 (0.0111292% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 5.552913677508551 (0.00832608% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 5.55255583873694 (0.00644437% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 5.552254970532592 (0.0054187% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 5.551980061434909 (0.00495143% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 5.551718957430488 (0.00470301% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 5.551473590886615 (0.00441975% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 5.551249527211484 (0.00403619% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 5.551047677818786 (0.00363617% change)
- linmin: converged after 3 iterations.
- iteration 36: trace = 5.55086432557669 (0.00330308% change)
- linmin: converged after 4 iterations.
- iteration 37: trace = 5.550695189460662 (0.00304707% change)
- linmin: converged after 4 iterations.
- iteration 38: trace = 5.550537718322757 (0.002837% change)
- linmin: converged after 3 iterations.
- iteration 39: trace = 5.550390745378974 (0.00264794% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 5.550253430921961 (0.00247399% change)
- linmin: converged after 7 iterations.
- iteration 41: trace = 5.550124903882509 (0.00231572% change)
- linmin: converged after 3 iterations.
- iteration 42: trace = 5.550004422979574 (0.0021708% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 5.549891462758519 (0.00203534% change)
- linmin: converged after 3 iterations.
- iteration 44: trace = 5.54978575774374 (0.00190465% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 5.549687478311515 (0.00177088% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 5.549597232227999 (0.00162616% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 5.549515438629776 (0.00147388% change)
- linmin: converged after 3 iterations.
- iteration 48: trace = 5.549441431569842 (0.00133359% change)
- linmin: converged after 3 iterations.
- iteration 49: trace = 5.549373301151855 (0.00122771% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 5.549308832485513 (0.00116174% change)
- linmin: converged after 3 iterations.
- iteration 51: trace = 5.549246790185274 (0.00111802% change)
- linmin: converged after 3 iterations.
- iteration 52: trace = 5.549187393589712 (0.00107036% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 5.549131425123482 (0.00100859% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 5.549078954749279 (0.000945565% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 5.549029215008254 (0.000896364% change)
- linmin: converged after 3 iterations.
- iteration 56: trace = 5.548981603998273 (0.00085801% change)
- linmin: converged after 3 iterations.
- iteration 57: trace = 5.548936442007346 (0.000813882% change)
- linmin: converged after 3 iterations.
- iteration 58: trace = 5.548894439021208 (0.000756958% change)
- linmin: converged after 3 iterations.
- iteration 59: trace = 5.548855472835694 (0.000702236% change)
- linmin: converged after 3 iterations.
- iteration 60: trace = 5.548818214793042 (0.000671457% change)
- linmin: converged after 3 iterations.
- iteration 61: trace = 5.548780940943994 (0.000671746% change)
- linmin: converged after 3 iterations.
- iteration 62: trace = 5.548742719557429 (0.000688827% change)
- linmin: converged after 3 iterations.
- iteration 63: trace = 5.548704070514274 (0.000696539% change)
- linmin: converged after 3 iterations.
- iteration 64: trace = 5.548666460946193 (0.00067781% change)
- linmin: converged after 3 iterations.
- iteration 65: trace = 5.548631158284956 (0.000636239% change)
- linmin: converged after 3 iterations.
- iteration 66: trace = 5.548598783181054 (0.000583481% change)
- linmin: converged after 3 iterations.
- iteration 67: trace = 5.54856972418999 (0.000523719% change)
- linmin: converged after 3 iterations.
- iteration 68: trace = 5.548544403643044 (0.000456345% change)
- linmin: converged after 3 iterations.
- iteration 69: trace = 5.548522919968383 (0.000387196% change)
- resetting CG direction...
- large trace change predicted (0.00347725%)
- linmin: converged after 5 iterations.
- iteration 70: trace = 5.548329976875334 (0.00347744% change)
- linmin: converged after 8 iterations.
- iteration 71: trace = 5.548232222627282 (0.00176188% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 5.548180081127551 (0.00093979% change)
- linmin: converged after 4 iterations.
- iteration 73: trace = 5.548158373809741 (0.000391252% change)
- linmin: converged after 4 iterations.
- iteration 74: trace = 5.548148375786459 (0.000180205% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 5.548144673483061 (6.67305e-05% change)
- linmin: converged after 3 iterations.
- iteration 76: trace = 5.548141864900142 (5.0622e-05% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 5.548138837053142 (5.45741e-05% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 5.54813458943767 (7.65593e-05% change)
- linmin: converged after 5 iterations.
- iteration 79: trace = 5.548128746388062 (0.000105316% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 5.548123649325782 (9.187e-05% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 5.548120939118171 (4.88491e-05% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 5.54811900980392 (3.47742e-05% change)
- linmin: converged after 3 iterations.
- iteration 83: trace = 5.548118262534684 (1.34689e-05% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 5.548117907882173 (6.3923e-06% change)
- linmin: converged after 2 iterations.
- iteration 85: trace = 5.548117802015909 (1.90815e-06% change)
- linmin: converged after 2 iterations.
- iteration 86: trace = 5.548117741686906 (1.08738e-06% change)
- linmin: converged after 9 iterations.
- iteration 87: trace = 5.548117729428178 (2.20953e-07% change)
- linmin: converged after 2 iterations.
- iteration 88: trace = 5.54811772641559 (5.42993e-08% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 5.548117725588869 (1.49009e-08% change)
- linmin: converged after 3 iterations.
- iteration 90: trace = 5.548117725372832 (3.89388e-09% change)
- linmin: converged after 3 iterations.
- iteration 91: trace = 5.548117725334812 (6.85266e-10% change)
- linmin: converged after 3 iterations.
- iteration 92: trace = 5.548117725327049 (1.39916e-10% change)
- linmin: converged after 8 iterations.
- iteration 93: trace = 5.548117725324972 (3.74442e-11% change)
-Finished solving for bands 2 to 8 after 93 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282
-elapsed time for k point: 0.2522132396697998
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0>
-Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0>
-Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0>
-Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0>
-Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0>
-Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0>
-Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372%
-Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737%
-Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669%
-total elapsed time for run: 1.9706509113311768
-done
-epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill"
-.Outputting /tmp/meepg15Lzl/test_subpixel_averaging-0-epsilon.h5...
-/tmp/meepg15Lzl/test_subpixel_averaging-0: 1.98s
-
-/tmp/meepg15Lzl/test_symmetry_overlap-0
-========================
-Initializing eigensolver data
-Computing 6 bands with 1e-12 tolerance
-Working in 3 dimensions.
-Grid size is 32 x 32 x 32.
-Solving for 6 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- sphere, center = (0,0,0)
- radius 0.25
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: .
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.5, 0.5, 0.5>
-elapsed time for initialization: 0.0455322265625
-solve_kpoint (0.5,0.5,0.5):
-freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6
-Solving for bands 1 to 6...
- near maximum in trace
- linmin: converged after 9 iterations.
- iteration 1: trace = 15.74018598579249 (195.749% change)
- linmin: converged after 9 iterations.
- iteration 2: trace = 3.090147276233731 (134.358% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 2.39752372069761 (25.2429% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 2.145761074543341 (11.0828% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.068316051370429 (3.67554% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.048480958527572 (0.963618% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 2.043452743659615 (0.245762% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.041240675658027 (0.10831% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.040708177321921 (0.0260904% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.040466618259406 (0.0118377% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.040385065982352 (0.00399683% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 2.040354111287643 (0.00151711% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 2.040341169825954 (0.000634277% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 2.040337077970569 (0.000200548% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 2.040336153622575 (4.53037e-05% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 2.040335806340879 (1.70208e-05% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 2.040335710845959 (4.68035e-06% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 2.040335672642774 (1.8724e-06% change)
- linmin: converged after 22 iterations.
- iteration 19: trace = 2.040335654413402 (8.9345e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 2.040335648243747 (3.02384e-07% change)
- linmin: converged after 18 iterations.
- iteration 21: trace = 2.040335646291806 (9.56677e-08% change)
- linmin: converged after 7 iterations.
- iteration 22: trace = 2.04033564561653 (3.30963e-08% change)
- linmin: converged after 21 iterations.
- iteration 23: trace = 2.040335645457566 (7.79107e-09% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 2.040335645416252 (2.02487e-09% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 2.040335645404155 (5.92892e-10% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 2.040335645401636 (1.23432e-10% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 2.04033564540094 (3.41501e-11% change)
-Finished solving for bands 1 to 6 after 27 iterations.
-freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491
-elapsed time for k point: 4.010473728179932
-total elapsed time for run: 4.056098699569702
-done
-Initializing eigensolver data
-Computing 6 bands with 1e-12 tolerance
-Working in 3 dimensions.
-Grid size is 32 x 32 x 32.
-Solving for 6 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- sphere, center = (0,0,0)
- radius 0.25
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: zeven.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.044661521911621094
-solve_kpoint (0,0,0):
-zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6
-Solving for bands 2 to 6...
- near maximum in trace
- linmin: converged after 9 iterations.
- iteration 1: trace = 18.95589239481535 (193.84% change)
- linmin: converged after 12 iterations.
- iteration 2: trace = 4.039421326965928 (129.735% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 3.237031641771015 (22.0544% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 2.981724017015089 (8.21089% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.778779921662612 (7.04605% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 2.649264413471264 (4.77209% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 2.552598023165624 (3.71661% change)
- linmin: converged after 6 iterations.
- iteration 8: trace = 2.49999224211558 (2.08233% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 2.481050506315754 (0.760553% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.47318361058262 (0.317583% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 2.470951871990917 (0.0902782% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 2.470390583895061 (0.022718% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.470176090620012 (0.00868294% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 2.470105989373048 (0.00283795% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 2.470088975297651 (0.000688802% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 2.470086848276996 (8.61111e-05% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 2.470086726387079 (4.93464e-06% change)
- linmin: converged after 6 iterations.
- iteration 18: trace = 2.470086678531701 (1.9374e-06% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 2.470086646747166 (1.28678e-06% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 2.470086621328261 (1.02907e-06% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 2.470086599230554 (8.94613e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.470086579159212 (8.12576e-07% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 2.470086560435126 (7.58034e-07% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 2.470086542626187 (7.20984e-07% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 2.470086525398639 (6.97447e-07% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 2.470086508443814 (6.86406e-07% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 2.470086491432141 (6.88708e-07% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 2.470086473971004 (7.06904e-07% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 2.470086455551509 (7.45702e-07% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 2.470086435461984 (8.13313e-07% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 2.470086412632964 (9.24219e-07% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 2.470086385334096 (1.10518e-06% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 2.470086350578639 (1.40705e-06% change)
- linmin: converged after 7 iterations.
- iteration 34: trace = 2.470086303711495 (1.89739e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 2.470086256803584 (1.89904e-06% change)
- linmin: converged after 4 iterations.
- iteration 36: trace = 2.470086237769362 (7.70589e-07% change)
- linmin: converged after 5 iterations.
- iteration 37: trace = 2.470086227711381 (4.07191e-07% change)
- linmin: converged after 3 iterations.
- iteration 38: trace = 2.470086220769965 (2.81019e-07% change)
- linmin: converged after 5 iterations.
- iteration 39: trace = 2.470086215312805 (2.2093e-07% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 2.470086210703905 (1.86589e-07% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 2.470086206637606 (1.64622e-07% change)
- linmin: converged after 5 iterations.
- iteration 42: trace = 2.470086202945012 (1.49493e-07% change)
- linmin: converged after 7 iterations.
- iteration 43: trace = 2.470086199523804 (1.38506e-07% change)
- linmin: converged after 4 iterations.
- iteration 44: trace = 2.470086196306484 (1.30251e-07% change)
- linmin: converged after 5 iterations.
- iteration 45: trace = 2.470086193246972 (1.23863e-07% change)
- linmin: converged after 2 iterations.
- iteration 46: trace = 2.470086190311444 (1.18843e-07% change)
- linmin: converged after 5 iterations.
- iteration 47: trace = 2.470086187474318 (1.14859e-07% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 2.470086184715327 (1.11696e-07% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 2.470086182017742 (1.0921e-07% change)
- linmin: converged after 5 iterations.
- iteration 50: trace = 2.470086179367615 (1.07289e-07% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 2.470086176752181 (1.05884e-07% change)
- linmin: converged after 6 iterations.
- iteration 52: trace = 2.470086174160263 (1.04932e-07% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 2.470086171580709 (1.04432e-07% change)
- linmin: converged after 9 iterations.
- iteration 54: trace = 2.47008616900312 (1.04352e-07% change)
- linmin: converged after 6 iterations.
- iteration 55: trace = 2.470086166416444 (1.0472e-07% change)
- linmin: converged after 5 iterations.
- iteration 56: trace = 2.470086163809907 (1.05524e-07% change)
- linmin: converged after 8 iterations.
- iteration 57: trace = 2.470086161171471 (1.06816e-07% change)
- linmin: converged after 6 iterations.
- iteration 58: trace = 2.470086158488062 (1.08636e-07% change)
- linmin: converged after 6 iterations.
- iteration 59: trace = 2.470086155745094 (1.11047e-07% change)
- linmin: converged after 4 iterations.
- iteration 60: trace = 2.470086152925734 (1.1414e-07% change)
- linmin: converged after 5 iterations.
- iteration 61: trace = 2.470086150010395 (1.18026e-07% change)
- linmin: converged after 5 iterations.
- iteration 62: trace = 2.470086146975367 (1.22871e-07% change)
- linmin: converged after 5 iterations.
- iteration 63: trace = 2.470086143791794 (1.28885e-07% change)
- linmin: converged after 6 iterations.
- iteration 64: trace = 2.47008614042227 (1.36413e-07% change)
- linmin: converged after 4 iterations.
- iteration 65: trace = 2.470086136818356 (1.45902e-07% change)
- linmin: converged after 5 iterations.
- iteration 66: trace = 2.47008613291373 (1.58077e-07% change)
- linmin: converged after 5 iterations.
- iteration 67: trace = 2.470086128613541 (1.74091e-07% change)
- linmin: converged after 4 iterations.
- iteration 68: trace = 2.470086123774848 (1.95892e-07% change)
- linmin: converged after 7 iterations.
- iteration 69: trace = 2.470086118170149 (2.26903e-07% change)
- resetting CG direction...
- large trace change predicted (5.08616e-06%)
- linmin: converged after 4 iterations.
- iteration 70: trace = 2.470085992402971 (5.09161e-06% change)
- linmin: converged after 4 iterations.
- iteration 71: trace = 2.470085917449075 (3.03447e-06% change)
- linmin: converged after 4 iterations.
- iteration 72: trace = 2.470085857051819 (2.44515e-06% change)
- linmin: converged after 10 iterations.
- iteration 73: trace = 2.470085794434165 (2.53504e-06% change)
- linmin: converged after 5 iterations.
- iteration 74: trace = 2.470085684656471 (4.44429e-06% change)
- linmin: converged after 4 iterations.
- iteration 75: trace = 2.470085666272392 (7.44269e-07% change)
- linmin: converged after 5 iterations.
- iteration 76: trace = 2.470085659657276 (2.67809e-07% change)
- linmin: converged after 2 iterations.
- iteration 77: trace = 2.470085656852766 (1.13539e-07% change)
- linmin: converged after 6 iterations.
- iteration 78: trace = 2.470085655579518 (5.15467e-08% change)
- linmin: converged after 15 iterations.
- iteration 79: trace = 2.470085654980333 (2.42576e-08% change)
- linmin: converged after 6 iterations.
- iteration 80: trace = 2.470085654692695 (1.16449e-08% change)
- linmin: converged after 6 iterations.
- iteration 81: trace = 2.47008565455298 (5.65628e-09% change)
- linmin: converged after 4 iterations.
- iteration 82: trace = 2.47008565448481 (2.75986e-09% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 2.470085654451496 (1.34869e-09% change)
- linmin: converged after 4 iterations.
- iteration 84: trace = 2.470085654435226 (6.58668e-10% change)
- linmin: converged after 3 iterations.
- iteration 85: trace = 2.470085654427465 (3.14196e-10% change)
- linmin: converged after 16 iterations.
- iteration 86: trace = 2.470085654423682 (1.53178e-10% change)
- linmin: converged after 6 iterations.
- iteration 87: trace = 2.470085654421875 (7.31194e-11% change)
-Finished solving for bands 2 to 6 after 87 iterations.
-zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492
-elapsed time for k point: 9.387357950210571
-total elapsed time for run: 9.432116746902466
-done
-Initializing eigensolver data
-Computing 6 bands with 1e-12 tolerance
-Working in 3 dimensions.
-Grid size is 32 x 32 x 32.
-Solving for 6 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (1, 0, 0)
- (0, 1, 0)
- (0, 0, 1)
-Cell volume = 1
-Reciprocal lattice vectors (/ 2 pi):
- (1, -0, 0)
- (-0, 1, -0)
- (0, -0, 1)
-Geometric objects:
- sphere, center = (0,0,0)
- radius 0.25
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: zodd.
-Initializing fields to random numbers...
-1 k-points
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.04473376274108887
-solve_kpoint (0,0,0):
-zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6
-Solving for bands 2 to 6...
- near maximum in trace
- linmin: converged after 9 iterations.
- iteration 1: trace = 18.02221847556454 (194.149% change)
- linmin: converged after 11 iterations.
- iteration 2: trace = 3.363324203114509 (137.092% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 2.753285428763914 (19.947% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 2.542376250784823 (7.96536% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.460265280306889 (3.2827% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 2.396838326976499 (2.61172% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 2.342633507615586 (2.28738% change)
- linmin: converged after 7 iterations.
- iteration 8: trace = 2.313897281250125 (1.23423% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 2.300812929616366 (0.567071% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.296327307690695 (0.195148% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 2.294758109433266 (0.0683585% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.294135222393112 (0.0271476% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.293938668030191 (0.00856806% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 2.293826788588857 (0.0048773% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 2.293758588338953 (0.00297325% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 2.29369419440961 (0.00280739% change)
- linmin: converged after 7 iterations.
- iteration 17: trace = 2.293618199025774 (0.00331329% change)
- linmin: converged after 7 iterations.
- iteration 18: trace = 2.293528069881335 (0.00392964% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 2.293451007226641 (0.00336006% change)
- linmin: converged after 8 iterations.
- iteration 20: trace = 2.293406432494042 (0.00194358% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 2.293384561775683 (0.000953639% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 2.293373743494189 (0.000471718% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 2.293370474414736 (0.000142545% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 2.293369520043941 (4.16143e-05% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 2.293369112326042 (1.77781e-05% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 2.293368934281367 (7.76346e-06% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 2.293368844736433 (3.90452e-06% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 2.293368821069992 (1.03195e-06% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 2.293368820578205 (2.14439e-08% change)
- linmin: converged after 15 iterations.
- iteration 30: trace = 2.293368820560684 (7.63951e-10% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 2.293368820559674 (4.40532e-11% change)
-Finished solving for bands 2 to 6 after 31 iterations.
-zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416
-.elapsed time for k point: 3.3925890922546387
-total elapsed time for run: 3.437434434890747
-done
-/tmp/meepg15Lzl/test_symmetry_overlap-0: 17.37s
-
-/tmp/meepg15Lzl/test_tri_holes-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (0.866025, 0.5, 0)
- (0.866025, -0.5, 0)
- (0, 0, 1)
-Cell volume = 0.866025
-Reciprocal lattice vectors (/ 2 pi):
- (0.57735, 1, -0)
- (0.57735, -1, 0)
- (-0, 0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.45, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.0, 0.1, 0.0>
- Vector3<0.0, 0.2, 0.0>
- Vector3<0.0, 0.30000000000000004, 0.0>
- Vector3<0.0, 0.4, 0.0>
- Vector3<0.0, 0.5, 0.0>
- Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
- Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
- Vector3<-0.2, 0.39999999999999997, 0.0>
- Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
- Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
- Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
- Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
- Vector3<-0.1333333333333333, 0.1333333333333333, 0.0>
- Vector3<-0.06666666666666665, 0.06666666666666665, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0021059513092041016
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 1: trace = 13.34289714972894 (194.943% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 5.883288708168695 (77.5984% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 5.044755956652265 (15.3464% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.759186801709515 (5.8256% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.648502384223162 (2.35306% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.573735188935832 (1.62145% change)
- linmin: converged after 8 iterations.
- iteration 7: trace = 4.52509608637615 (1.06913% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.490878663187865 (0.75904% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 4.471972673158225 (0.421874% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.463100096502826 (0.198601% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 4.457774835855648 (0.119389% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.455553733636293 (0.0498378% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.454264949858793 (0.0289295% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.453628568036768 (0.014288% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.453292324411062 (0.00755017% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 4.453169254637682 (0.00276361% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.453124198333839 (0.00101179% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 4.453097708544561 (0.00059486% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 4.453064686036361 (0.000741565% change)
- large trace change predicted (0.00167871%)
- linmin: converged after 5 iterations.
- iteration 20: trace = 4.45298990841828 (0.00167925% change)
- large trace change predicted (0.00355348%)
- linmin: converged after 5 iterations.
- iteration 21: trace = 4.452831698844816 (0.00355295% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 4.452615931157147 (0.00484575% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 4.452445091453559 (0.00383691% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 4.452296186462407 (0.0033444% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 4.452144807934144 (0.00340007% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 4.45202801093897 (0.00262342% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 4.451974702503797 (0.0011974% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 4.451958340675563 (0.000367519% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 4.451953421809165 (0.000110488% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 4.451951355107926 (4.64224e-05% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 4.451950388858642 (2.1704e-05% change)
- linmin: converged after 5 iterations.
- iteration 32: trace = 4.451949935124777 (1.01918e-05% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 4.451949721654937 (4.79497e-06% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 4.451949638042385 (1.87811e-06% change)
- linmin: converged after 6 iterations.
- iteration 35: trace = 4.451949603090662 (7.85088e-07% change)
- linmin: converged after 10 iterations.
- iteration 36: trace = 4.451949587124878 (3.58625e-07% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 4.451949578414573 (1.95651e-07% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 4.451949573497659 (1.10444e-07% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 4.451949570787107 (6.08846e-08% change)
- linmin: converged after 2 iterations.
- iteration 40: trace = 4.451949569043551 (3.91639e-08% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 4.451949566780466 (5.08336e-08% change)
- linmin: converged after 4 iterations.
- iteration 42: trace = 4.451949562367793 (9.91178e-08% change)
- large trace change predicted (2.08746e-07%)
- linmin: converged after 2 iterations.
- iteration 43: trace = 4.451949553074521 (2.08746e-07% change)
- linmin: converged after 2 iterations.
- iteration 44: trace = 4.451949540843078 (2.74744e-07% change)
- linmin: converged after 2 iterations.
- iteration 45: trace = 4.451949529999953 (2.43559e-07% change)
- linmin: converged after 2 iterations.
- iteration 46: trace = 4.451949523238304 (1.51881e-07% change)
- linmin: converged after 2 iterations.
- iteration 47: trace = 4.451949519159151 (9.16262e-08% change)
- linmin: converged after 4 iterations.
- iteration 48: trace = 4.451949516240864 (6.55508e-08% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 4.451949514432178 (4.06268e-08% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 4.451949513681809 (1.68548e-08% change)
- linmin: converged after 5 iterations.
- iteration 51: trace = 4.451949513453071 (5.13793e-09% change)
- linmin: converged after 12 iterations.
- iteration 52: trace = 4.451949513392949 (1.35046e-09% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 4.451949513373067 (4.46608e-10% change)
- linmin: converged after 4 iterations.
- iteration 54: trace = 4.451949513363684 (2.10755e-10% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 4.451949513358428 (1.18066e-10% change)
- linmin: converged after 4 iterations.
- iteration 56: trace = 4.451949513355888 (5.7038e-11% change)
-Finished solving for bands 2 to 8 after 56 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116
-elapsed time for k point: 0.15125441551208496
-solve_kpoint (0,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.47594446708455 (0.531645% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.470049557564652 (0.131789% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 4.468237947747928 (0.0405359% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 4.467329142575571 (0.0203413% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.466696419379508 (0.0141643% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.466267349480991 (0.00960644% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.465882291995668 (0.00862183% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.465603095551343 (0.00625196% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 4.465254970880233 (0.007796% change)
- large trace change predicted (0.015835%)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.464548380044759 (0.0158255% change)
- large trace change predicted (0.0385932%)
- linmin: converged after 6 iterations.
- iteration 11: trace = 4.462859568819666 (0.0378343% change)
- linmin: converged after 10 iterations.
- iteration 12: trace = 4.460811970277925 (0.0458914% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 4.459584283478679 (0.0275254% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.459118661364628 (0.0104415% change)
- linmin: converged after 7 iterations.
- iteration 15: trace = 4.458964421199068 (0.00345904% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 4.458929960323483 (0.000772848% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 4.458912092727452 (0.000400716% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.458904032336828 (0.000180771% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 4.458899161081643 (0.000109248% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 4.458897017351457 (4.80776e-05% change)
- linmin: converged after 5 iterations.
- iteration 21: trace = 4.45889596075534 (2.36964e-05% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 4.458895419253098 (1.21443e-05% change)
- linmin: converged after 5 iterations.
- iteration 23: trace = 4.458895086285063 (7.4675e-06% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 4.458894672876793 (9.27154e-06% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 4.458893966784354 (1.58356e-05% change)
- linmin: converged after 5 iterations.
- iteration 26: trace = 4.458892812036253 (2.58976e-05% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 4.458891509286692 (2.92169e-05% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 4.458890473613824 (2.32271e-05% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 4.458889874545344 (1.34354e-05% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 4.458889622685652 (5.64848e-06% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 4.45888952643595 (2.1586e-06% change)
- linmin: converged after 7 iterations.
- iteration 32: trace = 4.458889488492838 (8.50954e-07% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 4.458889473720224 (3.31307e-07% change)
- linmin: converged after 2 iterations.
- iteration 34: trace = 4.45888946816392 (1.24612e-07% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 4.458889466116759 (4.59119e-08% change)
- linmin: converged after 5 iterations.
- iteration 36: trace = 4.45888946524228 (1.9612e-08% change)
- linmin: converged after 3 iterations.
- iteration 37: trace = 4.458889464752234 (1.09903e-08% change)
- linmin: converged after 18 iterations.
- iteration 38: trace = 4.4588894644632 (6.48219e-09% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 4.458889464280369 (4.10038e-09% change)
- linmin: converged after 4 iterations.
- iteration 40: trace = 4.458889464100636 (4.03088e-09% change)
- linmin: converged after 4 iterations.
- iteration 41: trace = 4.458889463833435 (5.99255e-09% change)
- linmin: converged after 7 iterations.
- iteration 42: trace = 4.458889463451232 (8.5717e-09% change)
- linmin: converged after 8 iterations.
- iteration 43: trace = 4.458889462992349 (1.02914e-08% change)
- linmin: converged after 7 iterations.
- iteration 44: trace = 4.458889462497352 (1.11014e-08% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 4.458889462139591 (8.02354e-09% change)
- linmin: converged after 4 iterations.
- iteration 46: trace = 4.458889461932944 (4.63448e-09% change)
- linmin: converged after 7 iterations.
- iteration 47: trace = 4.458889461821264 (2.50467e-09% change)
- linmin: converged after 6 iterations.
- iteration 48: trace = 4.458889461773406 (1.07331e-09% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 4.458889461754992 (4.12986e-10% change)
- linmin: converged after 4 iterations.
- iteration 50: trace = 4.458889461749086 (1.32443e-10% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 4.458889461747212 (4.20297e-11% change)
-Finished solving for bands 1 to 8 after 51 iterations.
-tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546
-elapsed time for k point: 0.166229248046875
-solve_kpoint (0,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.492158134805232 (0.545791% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.485756356464682 (0.142612% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.48359772319342 (0.0481335% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.482688838957788 (0.0202734% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.482289052223193 (0.00891886% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.482111886539243 (0.00395265% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.481989042618931 (0.0027408% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.481900761942899 (0.0019697% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.481819566982614 (0.00181164% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.481727172834768 (0.00206155% change)
- linmin: converged after 13 iterations.
- iteration 11: trace = 4.481640274020332 (0.00193898% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.481586984826549 (0.00118906% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.481566235482779 (0.000462992% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.481558614049679 (0.000170062% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.481555960259477 (5.92158e-05% change)
- linmin: converged after 18 iterations.
- iteration 16: trace = 4.481555115788896 (1.88432e-05% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 4.481554758617398 (7.96981e-06% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.481554675435327 (1.8561e-06% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 4.481554649662253 (5.75092e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 4.481554642967519 (1.49384e-07% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.481554640848156 (4.72908e-08% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.481554640163128 (1.52855e-08% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 4.481554639855202 (6.87097e-09% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 4.481554639686879 (3.75591e-09% change)
- linmin: converged after 5 iterations.
- iteration 25: trace = 4.481554639614053 (1.625e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 4.48155463958997 (5.3738e-10% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 4.481554639582904 (1.57676e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 4.481554639580319 (5.76719e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022
-elapsed time for k point: 0.09215641021728516
-solve_kpoint (0,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.54301972900394 (0.515577% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.537380948842903 (0.124197% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.535410322902087 (0.0434403% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.534688093386124 (0.0159255% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.534407372590857 (0.00619071% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.534314483921439 (0.00204855% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.534272775355565 (0.000919847% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.53425640839527 (0.000360962% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.53425029643229 (0.000134795% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.534247094432772 (7.06181e-05% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 4.534244850401082 (4.94907e-05% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 4.534242751425728 (4.62916e-05% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.534241209054622 (3.40161e-05% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 4.534240295109358 (2.01565e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 4.534239883207084 (9.08426e-06% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 4.534239659653652 (4.93034e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 4.534239494917887 (3.63315e-06% change)
- linmin: converged after 9 iterations.
- iteration 18: trace = 4.53423941526584 (1.75668e-06% change)
- linmin: converged after 17 iterations.
- iteration 19: trace = 4.534239379667346 (7.85104e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 4.534239370364457 (2.0517e-07% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.534239368024673 (5.16026e-08% change)
- linmin: converged after 15 iterations.
- iteration 22: trace = 4.534239367497578 (1.16248e-08% change)
- linmin: converged after 6 iterations.
- iteration 23: trace = 4.534239367336916 (3.54332e-09% change)
- linmin: converged after 9 iterations.
- iteration 24: trace = 4.534239367284071 (1.16546e-09% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 4.534239367267459 (3.66359e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 4.534239367261488 (1.31692e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 4.534239367259118 (5.22811e-11% change)
-Finished solving for bands 1 to 8 after 27 iterations.
-tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658
-elapsed time for k point: 0.08911514282226562
-solve_kpoint (0,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.621404992372711 (0.557147% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.6140413474812 (0.159465% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.61047769647457 (0.0772648% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.608710813617704 (0.0383306% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.60786323375121 (0.0183925% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.607531544207422 (0.0071986% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.607374227312376 (0.0034144% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.607318349687175 (0.00121279% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.607296971209591 (0.000464012% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.607286359307485 (0.000230328% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 4.607280058156396 (0.000136765% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.607276056851829 (8.68475e-05% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.607274338045066 (3.73064e-05% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.607273686828223 (1.41345e-05% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.60727349105639 (4.24919e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.607273423326171 (1.47007e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.60727339645474 (5.83239e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 4.607273383999384 (2.70341e-07% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.607273373222187 (2.33917e-07% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 4.607273363837915 (2.03684e-07% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.607273356409584 (1.61231e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 4.607273352713705 (8.02184e-08% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 4.607273351035127 (3.64332e-08% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 4.607273350488983 (1.1854e-08% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 4.607273350318332 (3.70395e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 4.607273350261742 (1.22828e-09% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 4.607273350235106 (5.7812e-10% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 4.607273350217991 (3.71482e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 4.607273350209259 (1.8952e-10% change)
- linmin: converged after 4 iterations.
- iteration 30: trace = 4.607273350205848 (7.40265e-11% change)
-Finished solving for bands 1 to 8 after 30 iterations.
-tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191
-elapsed time for k point: 0.09861326217651367
-solve_kpoint (0,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.692438286201939 (0.712878% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.67858755927342 (0.295607% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.669219826103069 (0.200426% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.662995938259231 (0.133385% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.659382161777872 (0.0775291% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.65741179558654 (0.0422971% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.656216146536877 (0.0256753% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.655574406992827 (0.0137834% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.655148468920621 (0.00914941% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.654836684042732 (0.00669786% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.654665296959346 (0.00368198% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.654604621969572 (0.00130354% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.654589608102698 (0.00032256% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.654585491988865 (8.84313e-05% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.654584391756915 (2.36376e-05% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.654584007912179 (8.2466e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.654583872099503 (2.91783e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.654583818003201 (1.16222e-06% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.654583786952053 (6.67109e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 4.654583768788886 (3.90221e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 4.654583758229811 (2.26853e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 4.654583754130684 (8.80665e-08% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 4.654583752195758 (4.15703e-08% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 4.654583750968559 (2.63654e-08% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 4.654583749955052 (2.17744e-08% change)
- linmin: converged after 10 iterations.
- iteration 26: trace = 4.654583749144854 (1.74064e-08% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 4.654583748504239 (1.37631e-08% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 4.654583748161551 (7.36237e-09% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 4.65458374803795 (2.65546e-09% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 4.654583747984037 (1.15828e-09% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 4.654583747952655 (6.74217e-10% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 4.654583747932777 (4.2707e-10% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 4.65458374792053 (2.63119e-10% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 4.654583747914256 (1.34794e-10% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 4.654583747911483 (5.95734e-11% change)
-Finished solving for bands 1 to 8 after 35 iterations.
-tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797
-elapsed time for k point: 0.11479854583740234
-solve_kpoint (-0.0666667,0.466667,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.663405538594692 (0.126187% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.661028794315041 (0.0509788% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.659462455612591 (0.0336106% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.658444596655547 (0.0218474% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.658018186979108 (0.0091539% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.657889867112099 (0.00275485% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.657833401920459 (0.00121226% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.65781204755369 (0.000458462% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.657804893687837 (0.000153589% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.657803287529403 (3.44832e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.657802747123242 (1.16022e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.657802583154767 (3.5203e-06% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.65780251250674 (1.51677e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.6578024827709 (6.38409e-07% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.657802459850044 (4.92096e-07% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 4.657802440944282 (4.05894e-07% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.657802424135099 (3.60882e-07% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.657802413141304 (2.3603e-07% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.657802408226822 (1.05511e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 4.657802405927214 (4.93711e-08% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 4.657802404388961 (3.30253e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 4.657802403523613 (1.85785e-08% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 4.657802403119728 (8.67115e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 4.657802402939369 (3.87219e-09% change)
- linmin: converged after 12 iterations.
- iteration 25: trace = 4.657802402884991 (1.16746e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 4.657802402867798 (3.6913e-10% change)
- linmin: converged after 11 iterations.
- iteration 27: trace = 4.657802402862908 (1.04992e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 4.657802402861526 (2.96708e-11% change)
-Finished solving for bands 1 to 8 after 28 iterations.
-tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796
-elapsed time for k point: 0.09199404716491699
-solve_kpoint (-0.133333,0.433333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.672735728065847 (0.129732% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.670213935694965 (0.0539828% change)
- linmin: converged after 9 iterations.
- iteration 3: trace = 4.668592631123381 (0.0347219% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.667637099611373 (0.0204693% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.667264545138923 (0.00798197% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.667162918370009 (0.00217746% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.667121297309043 (0.000891789% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.667105889510089 (0.000330136% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.667099608686899 (0.000134576% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.667097710975308 (4.06615e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.667096867241917 (1.80783e-05% change)
- linmin: converged after 6 iterations.
- iteration 12: trace = 4.667096564921277 (6.4777e-06% change)
- linmin: converged after 14 iterations.
- iteration 13: trace = 4.66709642353641 (3.0294e-06% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.667096341918578 (1.74879e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.667096252445055 (1.91711e-06% change)
- linmin: converged after 20 iterations.
- iteration 16: trace = 4.667096174501475 (1.67007e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.667096128228516 (9.91472e-07% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.667096109587968 (3.99404e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 4.667096103667988 (1.26845e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 4.667096101434449 (4.78571e-08% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 4.667096100309831 (2.40967e-08% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 4.667096099663392 (1.3851e-08% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 4.667096099284753 (8.11295e-09% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 4.66709609908991 (4.17481e-09% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 4.66709609900776 (1.7602e-09% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 4.667096098964764 (9.21254e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 4.667096098939577 (5.39671e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 4.667096098919733 (4.25202e-10% change)
- linmin: converged after 8 iterations.
- iteration 29: trace = 4.667096098902281 (3.73933e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 4.667096098892164 (2.16778e-10% change)
- linmin: converged after 15 iterations.
- iteration 31: trace = 4.667096098888665 (7.49617e-11% change)
-Finished solving for bands 1 to 8 after 31 iterations.
-tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792
-elapsed time for k point: 0.10213160514831543
-solve_kpoint (-0.2,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.687244093032177 (0.138258% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.68450112164773 (0.058537% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 4.682869930576683 (0.0348271% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.682034068316317 (0.017851% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.681730640008873 (0.0064809% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.681655106922102 (0.00161337% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 4.681629472566263 (0.000547551% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.681621443725991 (0.000171497% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.681618077224002 (7.19089e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.681616737998083 (2.86061e-05% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 4.681615858546355 (1.87852e-05% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.681615429378891 (9.16708e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.681615194362362 (5.01999e-06% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.681615039712051 (3.30335e-06% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 4.681614869242017 (3.64127e-06% change)
- linmin: converged after 8 iterations.
- iteration 16: trace = 4.681614726230351 (3.05475e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.681614658041417 (1.45653e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.681614630400924 (5.90405e-07% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.68161462095171 (2.01837e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 4.681614615856853 (1.08827e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 4.681614612123163 (7.97522e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 4.681614608813805 (7.06884e-08% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 4.68161460661389 (4.69905e-08% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 4.681614605684865 (1.98441e-08% change)
- linmin: converged after 7 iterations.
- iteration 25: trace = 4.681614605285612 (8.52811e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 4.681614605099324 (3.97913e-09% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 4.681614605024981 (1.58798e-09% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 4.681614605000406 (5.24926e-10% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 4.681614604988978 (2.44108e-10% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 4.681614604983472 (1.17605e-10% change)
- linmin: converged after 17 iterations.
- iteration 31: trace = 4.681614604980835 (5.63268e-11% change)
-Finished solving for bands 1 to 8 after 31 iterations.
-tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805
-elapsed time for k point: 0.10159063339233398
-solve_kpoint (-0.266667,0.366667,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.705683450233832 (0.150475% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.702693967398454 (0.0635494% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.701070860685245 (0.0345204% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.700326710701877 (0.0158306% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.700066397544942 (0.00553835% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.699999664100543 (0.00141985% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 4.699978616958633 (0.000447813% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.699972034548925 (0.000140052% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.699969000630877 (6.45519e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.699967170929802 (3.89301e-05% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 4.699965319407021 (3.93944e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.699964030426752 (2.74253e-05% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.699963193699698 (1.78028e-05% change)
- linmin: converged after 13 iterations.
- iteration 14: trace = 4.699962560785059 (1.34664e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.699961832691024 (1.54915e-05% change)
- linmin: converged after 8 iterations.
- iteration 16: trace = 4.699961225600806 (1.29169e-05% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 4.699960906583666 (6.78765e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.699960737235768 (3.60318e-06% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.699960644725966 (1.96831e-06% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 4.699960592889878 (1.1029e-06% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 4.699960564066775 (6.13263e-07% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 4.699960551853538 (2.59858e-07% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.69996054723549 (9.82572e-08% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 4.699960545971039 (2.69034e-08% change)
- linmin: converged after 16 iterations.
- iteration 25: trace = 4.699960545396193 (1.22309e-08% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 4.699960545062289 (7.10439e-09% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 4.699960544894044 (3.57971e-09% change)
- linmin: converged after 8 iterations.
- iteration 28: trace = 4.699960544831154 (1.3381e-09% change)
- linmin: converged after 6 iterations.
- iteration 29: trace = 4.699960544805101 (5.54341e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 4.699960544792848 (2.60692e-10% change)
- linmin: converged after 8 iterations.
- iteration 31: trace = 4.699960544786444 (1.36251e-10% change)
- linmin: converged after 3 iterations.
- iteration 32: trace = 4.699960544782283 (8.85351e-11% change)
-Finished solving for bands 1 to 8 after 32 iterations.
-tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946
-elapsed time for k point: 0.10564923286437988
-solve_kpoint (-0.333333,0.333333,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.726091835505287 (0.165622% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.722802797492552 (0.0696174% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.721109191086882 (0.0358666% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.720325201509452 (0.0166074% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.72002872799142 (0.00628098% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.719918630346546 (0.00233259% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.719865321785012 (0.00112944% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.719831657789942 (0.000713243% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.71980741335517 (0.000513673% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.719790508681744 (0.000358165% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 4.719779814604564 (0.00022658% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.719770348472877 (0.000200563% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.719756280307735 (0.000298069% change)
- large trace change predicted (0.000793235%)
- linmin: converged after 15 iterations.
- iteration 14: trace = 4.719718876294719 (0.000792502% change)
- large trace change predicted (0.00173209%)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.719637476238337 (0.0017247% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 4.719538716015165 (0.00209256% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 4.719446199514753 (0.00196031% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 4.719342067157387 (0.00220648% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 4.719250145660985 (0.00194778% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 4.719204779897166 (0.000961296% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 4.719181996963679 (0.000482772% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.71917349179555 (0.000180226% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 4.719169509308651 (8.43895e-05% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 4.719167458935975 (4.34478e-05% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 4.719165917310743 (3.26673e-05% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 4.71916510764345 (1.7157e-05% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 4.719164862213012 (5.20072e-06% change)
- linmin: converged after 2 iterations.
- iteration 28: trace = 4.719164785194017 (1.63205e-06% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 4.719164760924096 (5.14284e-07% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 4.719164750429895 (2.22374e-07% change)
- linmin: converged after 2 iterations.
- iteration 31: trace = 4.719164743982211 (1.36628e-07% change)
- linmin: converged after 2 iterations.
- iteration 32: trace = 4.719164738001871 (1.26725e-07% change)
- linmin: converged after 2 iterations.
- iteration 33: trace = 4.719164732533893 (1.15867e-07% change)
- linmin: converged after 3 iterations.
- iteration 34: trace = 4.719164729191952 (7.08164e-08% change)
- linmin: converged after 4 iterations.
- iteration 35: trace = 4.719164727748357 (3.05901e-08% change)
- linmin: converged after 2 iterations.
- iteration 36: trace = 4.71916472725019 (1.05563e-08% change)
- linmin: converged after 2 iterations.
- iteration 37: trace = 4.719164726984241 (5.63551e-09% change)
- linmin: converged after 9 iterations.
- iteration 38: trace = 4.719164726836323 (3.13441e-09% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 4.719164726707298 (2.73406e-09% change)
- linmin: converged after 3 iterations.
- iteration 40: trace = 4.719164726548755 (3.35956e-09% change)
- linmin: converged after 10 iterations.
- iteration 41: trace = 4.719164726296947 (5.33585e-09% change)
- linmin: converged after 2 iterations.
- iteration 42: trace = 4.719164725852078 (9.42686e-09% change)
- linmin: converged after 13 iterations.
- iteration 43: trace = 4.719164725066077 (1.66555e-08% change)
- linmin: converged after 14 iterations.
- iteration 44: trace = 4.71916472372212 (2.84787e-08% change)
- linmin: converged after 4 iterations.
- iteration 45: trace = 4.719164722419702 (2.75985e-08% change)
- linmin: converged after 16 iterations.
- iteration 46: trace = 4.719164721562477 (1.81648e-08% change)
- linmin: converged after 21 iterations.
- iteration 47: trace = 4.719164720988466 (1.21634e-08% change)
- linmin: converged after 12 iterations.
- iteration 48: trace = 4.719164720623193 (7.74021e-09% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 4.71916472038204 (5.11008e-09% change)
- linmin: converged after 10 iterations.
- iteration 50: trace = 4.719164720281913 (2.12171e-09% change)
- linmin: converged after 4 iterations.
- iteration 51: trace = 4.719164720241513 (8.56096e-10% change)
- linmin: converged after 5 iterations.
- iteration 52: trace = 4.719164720225395 (3.41539e-10% change)
- linmin: converged after 3 iterations.
- iteration 53: trace = 4.719164720218767 (1.4044e-10% change)
- linmin: converged after 5 iterations.
- iteration 54: trace = 4.719164720216025 (5.81182e-11% change)
-Finished solving for bands 1 to 8 after 54 iterations.
-tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518
-elapsed time for k point: 0.17621827125549316
-solve_kpoint (-0.266667,0.266667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.692944380167901 (0.970793% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.672476472712366 (0.437095% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.66134504154787 (0.238518% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.656898551873837 (0.0954362% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.655008764250136 (0.0405886% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.65439933608623 (0.0130927% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.654116590783703 (0.00607498% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.654018455429475 (0.00210859% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.653979714231966 (0.000832428% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.653965914128501 (0.000296523% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.653960270293428 (0.000121269% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.653958279342972 (4.27797e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 4.653957534859846 (1.59968e-05% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.653957210162117 (6.97681e-06% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 4.65395702585214 (3.96029e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.653956928560747 (2.09051e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.653956875769952 (1.13432e-06% change)
- linmin: converged after 13 iterations.
- iteration 18: trace = 4.653956841201484 (7.42776e-07% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 4.653956819085474 (4.75209e-07% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.653956809935063 (1.96616e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 4.653956806517482 (7.34339e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 4.653956805199021 (2.83299e-08% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 4.65395680466305 (1.15165e-08% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 4.653956804367976 (6.34029e-09% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 4.653956804189207 (3.84123e-09% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 4.65395680409557 (2.01199e-09% change)
- linmin: converged after 2 iterations.
- iteration 27: trace = 4.653956804061929 (7.2284e-10% change)
- linmin: converged after 6 iterations.
- iteration 28: trace = 4.653956804052053 (2.12199e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 4.65395680404941 (5.67951e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842
-elapsed time for k point: 0.09525537490844727
-solve_kpoint (-0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.588920978578234 (0.874534% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.575249860619992 (0.29836% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.569227615780098 (0.131713% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.567129923726858 (0.0459197% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.566231478753179 (0.0196739% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.565933792276804 (0.00651952% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.565803133406301 (0.00286164% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.565757220078061 (0.0010056% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.565743625954823 (0.000297741% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.565739612896303 (8.7895e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.565738200055283 (3.09444e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.565737746810887 (9.92708e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.565737597483525 (3.27061e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.565737552537141 (9.84428e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.565737539290494 (2.90132e-07% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 4.565737535646702 (7.98073e-08% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 4.565737534603485 (2.28488e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 4.565737534315074 (6.31686e-09% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 4.565737534206797 (2.37151e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 4.565737534143939 (1.37674e-09% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 4.565737534100027 (9.61782e-10% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 4.565737534070947 (6.36915e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.56573753405284 (3.96591e-10% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 4.56573753404194 (2.38729e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 4.56573753403582 (1.34032e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 4.565737534032801 (6.61212e-11% change)
-Finished solving for bands 1 to 8 after 26 iterations.
-tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032
-elapsed time for k point: 0.08627200126647949
-solve_kpoint (-0.133333,0.133333,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.508620212892092 (0.753199% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.499716957737254 (0.197667% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 4.496660861798947 (0.0679406% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.495746516235535 (0.0203359% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.495430397031106 (0.00703176% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.495345271640709 (0.00189362% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.495315544672337 (0.000661286% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.495303649148995 (0.000264621% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 4.495300564167791 (6.86268e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.495299803160997 (1.69289e-05% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.495299629871562 (3.8549e-06% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.495299593694352 (8.04779e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.495299585129781 (1.90523e-07% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.4952995829639 (4.8181e-08% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.49529958214405 (1.8238e-08% change)
- linmin: converged after 28 iterations.
- iteration 16: trace = 4.495299581549299 (1.32305e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 4.495299580823784 (1.61394e-08% change)
- linmin: converged after 8 iterations.
- iteration 18: trace = 4.495299579922003 (2.00605e-08% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 4.495299579325445 (1.32707e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 4.49529957906551 (5.78236e-09% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 4.49529957896095 (2.326e-09% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 4.49529957891384 (1.04798e-09% change)
- linmin: converged after 6 iterations.
- iteration 23: trace = 4.495299578893935 (4.42795e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 4.495299578886663 (1.61758e-10% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 4.495299578884336 (5.17658e-11% change)
-Finished solving for bands 1 to 8 after 25 iterations.
-tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567
-elapsed time for k point: 0.08226823806762695
-solve_kpoint (-0.0666667,0.0666667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.473866004790979 (0.70844% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.466337931880157 (0.168409% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.464014970093497 (0.052024% change)
- linmin: converged after 3 iterations.
- iteration 4: trace = 4.463224313439719 (0.0177134% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 4.462870601137268 (0.00792535% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.462724153332467 (0.00328152% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 4.462635338597414 (0.00199017% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.46258977672777 (0.00102097% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.462576102002991 (0.000306431% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.462571864667408 (9.49527e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.462570546980006 (2.95275e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.462570139814242 (9.12402e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.462570010886544 (2.88909e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.462569981202189 (6.65185e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.462569970590501 (2.37793e-07% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 4.462569966989759 (8.06876e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 4.462569964422028 (5.75393e-08% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 4.462569961021078 (7.62106e-08% change)
- large trace change predicted (1.59484e-07%)
- linmin: converged after 4 iterations.
- iteration 19: trace = 4.462569953904024 (1.59483e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 4.46256994368324 (2.29034e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 4.462569934609524 (2.03329e-07% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 4.462569927927913 (1.49726e-07% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 4.462569924053902 (8.68112e-08% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 4.462569921863484 (4.90842e-08% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 4.462569921105942 (1.69755e-08% change)
- linmin: converged after 18 iterations.
- iteration 26: trace = 4.462569920846194 (5.82059e-09% change)
- linmin: converged after 18 iterations.
- iteration 27: trace = 4.462569920755986 (2.02143e-09% change)
- linmin: converged after 4 iterations.
- iteration 28: trace = 4.462569920708029 (1.07465e-09% change)
- linmin: converged after 7 iterations.
- iteration 29: trace = 4.462569920679469 (6.39996e-10% change)
- linmin: converged after 15 iterations.
- iteration 30: trace = 4.462569920665285 (3.17848e-10% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 4.462569920661394 (8.71745e-11% change)
-Finished solving for bands 1 to 8 after 31 iterations.
-tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423
-elapsed time for k point: 0.10185956954956055
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.478658555603819 (0.729587% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.469039616062341 (0.215004% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.465022814409604 (0.0899211% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.462099683144574 (0.0654888% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.460047398383897 (0.0460043% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.459144908739186 (0.020237% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.458741257123712 (0.00905263% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.458626601085926 (0.00257152% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.458596309902849 (0.000679386% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 4.458587755439019 (0.000191865% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 4.458585207925357 (5.71372e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.45858449001386 (1.61018e-05% change)
- linmin: converged after 24 iterations.
- iteration 13: trace = 4.458584277335135 (4.7701e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.458584200806313 (1.71644e-06% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.458584152120826 (1.09195e-06% change)
- linmin: converged after 14 iterations.
- iteration 16: trace = 4.458584133462662 (4.18477e-07% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.458584124789706 (1.94523e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.458584118093987 (1.50176e-07% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 4.458584108089635 (2.24384e-07% change)
- linmin: converged after 2 iterations.
- iteration 20: trace = 4.458584093760502 (3.21383e-07% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 4.458584070135795 (5.2987e-07% change)
- large trace change predicted (1.49556e-06%)
- linmin: converged after 12 iterations.
- iteration 22: trace = 4.458584003454766 (1.49557e-06% change)
- large trace change predicted (5.07369e-06%)
- linmin: converged after 3 iterations.
- iteration 23: trace = 4.458583777248651 (5.0735e-06% change)
- near maximum in trace
- linmin: converged after 18 iterations.
- iteration 24: trace = 4.458459762226113 (0.00278153% change)
- linmin: converged after 8 iterations.
- iteration 25: trace = 4.458458097222653 (3.73448e-05% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 4.458456435414942 (3.72732e-05% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 4.458454780836334 (3.7111e-05% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 4.458453133770327 (3.69425e-05% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 4.458451492344961 (3.6816e-05% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 4.458449853546941 (3.67571e-05% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 4.458448213826725 (3.67778e-05% change)
- linmin: converged after 9 iterations.
- iteration 32: trace = 4.458446569444464 (3.68824e-05% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 4.458444916661476 (3.70708e-05% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 4.458443251842857 (3.73408e-05% change)
- linmin: converged after 5 iterations.
- iteration 35: trace = 4.458441571511066 (3.76888e-05% change)
- linmin: converged after 6 iterations.
- iteration 36: trace = 4.458439872373875 (3.81106e-05% change)
- linmin: converged after 6 iterations.
- iteration 37: trace = 4.45843815133906 (3.86017e-05% change)
- linmin: converged after 9 iterations.
- iteration 38: trace = 4.458436405527778 (3.91575e-05% change)
- linmin: converged after 4 iterations.
- iteration 39: trace = 4.458434632293662 (3.97726e-05% change)
- linmin: converged after 6 iterations.
- iteration 40: trace = 4.458432829221961 (4.04418e-05% change)
- linmin: converged after 3 iterations.
- iteration 41: trace = 4.458430994161017 (4.11593e-05% change)
- linmin: converged after 14 iterations.
- iteration 42: trace = 4.458429125248355 (4.19186e-05% change)
- linmin: converged after 6 iterations.
- iteration 43: trace = 4.458427220938673 (4.27126e-05% change)
- linmin: converged after 5 iterations.
- iteration 44: trace = 4.458425280015929 (4.35338e-05% change)
- linmin: converged after 3 iterations.
- iteration 45: trace = 4.458423301666431 (4.43733e-05% change)
- linmin: converged after 8 iterations.
- iteration 46: trace = 4.458421285489043 (4.52218e-05% change)
- linmin: converged after 5 iterations.
- iteration 47: trace = 4.458419231568029 (4.60684e-05% change)
- linmin: converged after 6 iterations.
- iteration 48: trace = 4.458417140375668 (4.69044e-05% change)
- linmin: converged after 5 iterations.
- iteration 49: trace = 4.458415012986048 (4.77163e-05% change)
- linmin: converged after 9 iterations.
- iteration 50: trace = 4.458412850959375 (4.84932e-05% change)
- linmin: converged after 5 iterations.
- iteration 51: trace = 4.458410656393371 (4.9223e-05% change)
- linmin: converged after 10 iterations.
- iteration 52: trace = 4.458408431819379 (4.98961e-05% change)
- linmin: converged after 15 iterations.
- iteration 53: trace = 4.458406180361353 (5.04992e-05% change)
- linmin: converged after 7 iterations.
- iteration 54: trace = 4.458403905412517 (5.10261e-05% change)
- linmin: converged after 7 iterations.
- iteration 55: trace = 4.45840161065304 (5.14704e-05% change)
- linmin: converged after 16 iterations.
- iteration 56: trace = 4.458399300195559 (5.18226e-05% change)
- linmin: converged after 9 iterations.
- iteration 57: trace = 4.458396978238211 (5.20805e-05% change)
- linmin: converged after 5 iterations.
- iteration 58: trace = 4.458394649064632 (5.22424e-05% change)
- linmin: converged after 11 iterations.
- iteration 59: trace = 4.45839231672281 (5.23135e-05% change)
- linmin: converged after 5 iterations.
- iteration 60: trace = 4.458389985422865 (5.22902e-05% change)
- linmin: converged after 6 iterations.
- iteration 61: trace = 4.458387658799612 (5.21853e-05% change)
- linmin: converged after 7 iterations.
- iteration 62: trace = 4.458385340460435 (5.19995e-05% change)
- linmin: converged after 5 iterations.
- iteration 63: trace = 4.458383033641146 (5.17412e-05% change)
- linmin: converged after 4 iterations.
- iteration 64: trace = 4.458380740987514 (5.14234e-05% change)
- linmin: converged after 5 iterations.
- iteration 65: trace = 4.458378464950087 (5.10508e-05% change)
- linmin: converged after 9 iterations.
- iteration 66: trace = 4.458376207509239 (5.06337e-05% change)
- linmin: converged after 6 iterations.
- iteration 67: trace = 4.458373970256708 (5.01809e-05% change)
- linmin: converged after 7 iterations.
- iteration 68: trace = 4.458371754419538 (4.97006e-05% change)
- linmin: converged after 6 iterations.
- iteration 69: trace = 4.458369560891834 (4.92002e-05% change)
- resetting CG direction...
- large trace change predicted (0.0705967%)
- linmin: converged after 3 iterations.
- iteration 70: trace = 4.455218432031194 (0.0707039% change)
- linmin: converged after 3 iterations.
- iteration 71: trace = 4.454076300097985 (0.0256391% change)
- linmin: converged after 3 iterations.
- iteration 72: trace = 4.453233408933235 (0.0189258% change)
- linmin: converged after 3 iterations.
- iteration 73: trace = 4.452750380332034 (0.0108473% change)
- linmin: converged after 3 iterations.
- iteration 74: trace = 4.45248621999205 (0.0059327% change)
- linmin: converged after 3 iterations.
- iteration 75: trace = 4.45238135297291 (0.00235527% change)
- linmin: converged after 4 iterations.
- iteration 76: trace = 4.452332140018962 (0.00110532% change)
- linmin: converged after 3 iterations.
- iteration 77: trace = 4.452312679335096 (0.000437091% change)
- linmin: converged after 3 iterations.
- iteration 78: trace = 4.452300707160372 (0.000268898% change)
- linmin: converged after 3 iterations.
- iteration 79: trace = 4.452288391133961 (0.000276622% change)
- linmin: converged after 4 iterations.
- iteration 80: trace = 4.452272801291765 (0.000350154% change)
- linmin: converged after 4 iterations.
- iteration 81: trace = 4.452249228852717 (0.000529449% change)
- linmin: converged after 3 iterations.
- iteration 82: trace = 4.452204258025057 (0.00101007% change)
- linmin: converged after 4 iterations.
- iteration 83: trace = 4.452119844389218 (0.00189601% change)
- linmin: converged after 3 iterations.
- iteration 84: trace = 4.45203054303226 (0.00200584% change)
- linmin: converged after 5 iterations.
- iteration 85: trace = 4.451975522790121 (0.00123585% change)
- linmin: converged after 3 iterations.
- iteration 86: trace = 4.451956336683962 (0.000430958% change)
- linmin: converged after 3 iterations.
- iteration 87: trace = 4.451951182947111 (0.000115763% change)
- linmin: converged after 3 iterations.
- iteration 88: trace = 4.45194992695437 (2.82122e-05% change)
- linmin: converged after 2 iterations.
- iteration 89: trace = 4.451949633717591 (6.5867e-06% change)
- linmin: converged after 2 iterations.
- iteration 90: trace = 4.451949555039655 (1.76727e-06% change)
- linmin: converged after 2 iterations.
- iteration 91: trace = 4.451949527224505 (6.24786e-07% change)
- linmin: converged after 20 iterations.
- iteration 92: trace = 4.451949519989437 (1.62515e-07% change)
- linmin: converged after 3 iterations.
- iteration 93: trace = 4.451949518321356 (3.74686e-08% change)
- linmin: converged after 3 iterations.
- iteration 94: trace = 4.451949517531383 (1.77444e-08% change)
- linmin: converged after 3 iterations.
- iteration 95: trace = 4.45194951701959 (1.14959e-08% change)
- linmin: converged after 11 iterations.
- iteration 96: trace = 4.451949516565071 (1.02094e-08% change)
- linmin: converged after 2 iterations.
- iteration 97: trace = 4.451949516311299 (5.70025e-09% change)
- linmin: converged after 2 iterations.
- iteration 98: trace = 4.45194951618584 (2.81806e-09% change)
- linmin: converged after 3 iterations.
- iteration 99: trace = 4.451949516111402 (1.67202e-09% change)
- large trace change predicted (3.42048e-09%)
- linmin: converged after 3 iterations.
- iteration 100: trace = 4.451949515959129 (3.42038e-09% change)
- linmin: converged after 5 iterations.
- iteration 101: trace = 4.45194951567253 (6.43759e-09% change)
- linmin: converged after 3 iterations.
- iteration 102: trace = 4.451949515253565 (9.41083e-09% change)
- linmin: converged after 3 iterations.
- iteration 103: trace = 4.451949514776373 (1.07187e-08% change)
- linmin: converged after 2 iterations.
- iteration 104: trace = 4.451949514168423 (1.36558e-08% change)
- linmin: converged after 4 iterations.
- iteration 105: trace = 4.451949513641425 (1.18375e-08% change)
- linmin: converged after 3 iterations.
- iteration 106: trace = 4.45194951344526 (4.40627e-09% change)
- linmin: converged after 12 iterations.
- iteration 107: trace = 4.451949513374773 (1.5833e-09% change)
- linmin: converged after 2 iterations.
- iteration 108: trace = 4.451949513356691 (4.06149e-10% change)
- linmin: converged after 4 iterations.
- iteration 109: trace = 4.451949513352739 (8.87789e-11% change)
-Finished solving for bands 2 to 8 after 109 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116
-elapsed time for k point: 0.29201316833496094
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117474 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 2 range: 0.49243428236220704 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.526971050644882 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.6568031427446027 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502104 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 5 range: 0.7383774303752573 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802602 at Vector3<0.0, 0.5, 0.0>
-Band 6 range: 0.825978716470153 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012379 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 7 range: 0.8271634538840882 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529559 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 8 range: 0.9984200611839871 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079025 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.2993049473117474) to band 2 (0.49243428236220704), 48.78609719263048%
-Gap from band 5 (0.7988168792802602) to band 6 (0.825978716470153), 3.343415905475546%
-Gap from band 7 (0.9834563303529559) to band 8 (0.9984200611839871), 1.5100569233207162%
-total elapsed time for run: 1.950716495513916
-done
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (0.866025, 0.5, 0)
- (0.866025, -0.5, 0)
- (0, 0, 1)
-Cell volume = 0.866025
-Reciprocal lattice vectors (/ 2 pi):
- (0.57735, 1, -0)
- (0.57735, -1, 0)
- (-0, 0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.45, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.0, 0.1, 0.0>
- Vector3<0.0, 0.2, 0.0>
- Vector3<0.0, 0.30000000000000004, 0.0>
- Vector3<0.0, 0.4, 0.0>
- Vector3<0.0, 0.5, 0.0>
- Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
- Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
- Vector3<-0.2, 0.39999999999999997, 0.0>
- Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
- Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
- Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
- Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
- Vector3<-0.1333333333333333, 0.1333333333333333, 0.0>
- Vector3<-0.06666666666666665, 0.06666666666666665, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.002065896987915039
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 8 iterations.
- iteration 1: trace = 9.345806662498543 (196.355% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 3.455682105603809 (92.0225% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 2.964925980590619 (15.2869% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 2.881973434637948 (2.83749% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.868382752776488 (0.47269% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 2.865183812544309 (0.111586% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 2.863590833741099 (0.0556132% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.862863745162171 (0.025394% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.862718556173162 (0.00507159% change)
- linmin: converged after 7 iterations.
- iteration 10: trace = 2.862686082422818 (0.00113437% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.862646034309393 (0.00139898% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 2.862568116843556 (0.00272191% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 2.862522529156347 (0.00159256% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 2.862507023053621 (0.000541695% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 2.8624970244307 (0.000349297% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 2.862491945372417 (0.000177435% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 2.862490865834021 (3.77132e-05% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 2.8624907260452 (4.88347e-06% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 2.862490708248829 (6.21709e-07% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 2.862490703921476 (1.51174e-07% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 2.862490700442617 (1.21533e-07% change)
- linmin: converged after 13 iterations.
- iteration 22: trace = 2.862490696942737 (1.22267e-07% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 2.862490694617053 (8.12468e-08% change)
- linmin: converged after 8 iterations.
- iteration 24: trace = 2.862490692196367 (8.45658e-08% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 2.862490689635969 (8.94465e-08% change)
- linmin: converged after 6 iterations.
- iteration 26: trace = 2.862490688812153 (2.87797e-08% change)
- linmin: converged after 14 iterations.
- iteration 27: trace = 2.86249068865775 (5.39401e-09% change)
- linmin: converged after 16 iterations.
- iteration 28: trace = 2.862490688633992 (8.29988e-10% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 2.862490688625448 (2.98475e-10% change)
- linmin: converged after 9 iterations.
- iteration 30: trace = 2.862490688620294 (1.80041e-10% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 2.86249068861899 (4.55494e-11% change)
-Finished solving for bands 2 to 8 after 31 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224
-elapsed time for k point: 0.08467841148376465
-solve_kpoint (0,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 2.859266533744322 (1.54925% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 2.842743885401787 (0.579538% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 2.837677720077269 (0.178373% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.836732000258409 (0.0333328% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.836186496133744 (0.0192319% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.835585889967723 (0.0211788% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 2.83532925090223 (0.00905106% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.835307580260289 (0.000764311% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.835302898412854 (0.000165127% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 2.835301638980056 (4.44197e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.835301372354519 (9.40378e-06% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 2.835301336476825 (1.26539e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 2.835301332836303 (1.284e-07% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 2.835301331052824 (6.29026e-08% change)
- linmin: converged after 9 iterations.
- iteration 15: trace = 2.835301329637784 (4.99079e-08% change)
- linmin: converged after 25 iterations.
- iteration 16: trace = 2.835301328974365 (2.33985e-08% change)
- linmin: converged after 6 iterations.
- iteration 17: trace = 2.835301328638409 (1.18491e-08% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 2.835301328502631 (4.78884e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 2.83530132848065 (7.75249e-10% change)
- linmin: converged after 8 iterations.
- iteration 20: trace = 2.835301328478701 (6.87443e-11% change)
-Finished solving for bands 1 to 8 after 20 iterations.
-tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138
-elapsed time for k point: 0.06652045249938965
-solve_kpoint (0,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 6 iterations.
- iteration 1: trace = 2.801047583435341 (1.13558% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 2.796644378333248 (0.157322% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.7959288782003 (0.0255875% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.795770481181542 (0.00566543% change)
- linmin: converged after 9 iterations.
- iteration 5: trace = 2.795670517948602 (0.00357558% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.795637812105357 (0.00116988% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 2.795631405060591 (0.00022918% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 2.795630929521838 (1.70101e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 2.795630880408565 (1.75679e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 2.795630872968428 (2.66134e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 2.795630871760073 (4.3223e-08% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 2.795630871631208 (4.60951e-09% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 2.79563087161296 (6.52735e-10% change)
- linmin: converged after 9 iterations.
- iteration 14: trace = 2.795630871602821 (3.62689e-10% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 2.795630871598374 (1.59058e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 2.795630871597671 (2.5162e-11% change)
-Finished solving for bands 1 to 8 after 16 iterations.
-tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031
-elapsed time for k point: 0.05348634719848633
-solve_kpoint (0,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 9 iterations.
- iteration 1: trace = 2.774998560215885 (0.956829% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.772244894227236 (0.0992805% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 2.771711795790375 (0.0192317% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 2.771603071908644 (0.0039227% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.77157333986107 (0.00107274% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 2.771567875220617 (0.000197168% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 2.771565848864933 (7.31123e-05% change)
- linmin: converged after 23 iterations.
- iteration 8: trace = 2.771565436133743 (1.48916e-05% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 2.771565393911649 (1.5234e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 2.771565390637125 (1.18147e-07% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 2.771565390406327 (8.32735e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.771565390385135 (7.6462e-10% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 2.771565390382112 (1.09069e-10% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 2.771565390381668 (1.6007e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964
-elapsed time for k point: 0.047247886657714844
-solve_kpoint (0,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 2.76986289767915 (0.914068% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.7662366764232 (0.131003% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.764990799331567 (0.0450488% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.764690915212057 (0.0108463% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.764623520243719 (0.00243773% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.764618233702739 (0.000191221% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 2.764617446459626 (2.84757e-05% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 2.764617148488824 (1.0778e-05% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.764617097736615 (1.83578e-06% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 2.764617094306763 (1.24062e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 2.764617094122716 (6.65725e-09% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 2.764617094109743 (4.69258e-10% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 2.76461709410778 (7.09999e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008
-elapsed time for k point: 0.044260501861572266
-solve_kpoint (0,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 2.776059205793774 (0.931493% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 2.769429886165129 (0.239089% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 2.766409470118905 (0.109122% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.76565530954431 (0.0272651% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 2.765522422981642 (0.004805% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.765515118332745 (0.000264133% change)
- linmin: converged after 10 iterations.
- iteration 7: trace = 2.765514720941248 (1.43695e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 2.765514678058566 (1.55062e-06% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.765514659876092 (6.57472e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 2.765514655313923 (1.64966e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 2.765514654640203 (2.43615e-08% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 2.765514654454889 (6.7009e-09% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 2.76551465439036 (2.33334e-09% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 2.765514654376136 (5.14325e-10% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 2.765514654374652 (5.36501e-11% change)
-Finished solving for bands 1 to 8 after 15 iterations.
-tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954
-elapsed time for k point: 0.05034685134887695
-solve_kpoint (-0.0666667,0.466667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 2.767583432193024 (0.36764% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.766063309127015 (0.0549411% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.76572899258955 (0.0120871% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.765669394833952 (0.00215489% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 2.765658289765336 (0.000401534% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.765656674101838 (5.84188e-05% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 2.765656191162027 (1.7462e-05% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 2.765656108679672 (2.98238e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 2.765656098612789 (3.63996e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 2.765656097543772 (3.86533e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 2.765656097432821 (4.01172e-09% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 2.765656097370315 (2.26008e-09% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 2.76565609734533 (9.03415e-10% change)
- linmin: converged after 7 iterations.
- iteration 14: trace = 2.765656097342629 (9.76443e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945
-elapsed time for k point: 0.04724550247192383
-solve_kpoint (-0.133333,0.433333,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 2.76828002496966 (0.361641% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.766861173313224 (0.051267% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.76653878249722 (0.0116525% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 2.766463876994901 (0.00270759% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 2.766444675349486 (0.000694089% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.766441155889404 (0.00012722% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 2.766440488279491 (2.41324e-05% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.766440405119586 (3.00603e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 2.766440395785974 (3.37387e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 2.766440394337008 (5.23766e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 2.766440393560162 (2.80811e-08% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 2.76644039313326 (1.54315e-08% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 2.766440393061447 (2.59585e-09% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 2.76644039305401 (2.68819e-10% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 2.766440393053365 (2.33086e-11% change)
-Finished solving for bands 1 to 8 after 15 iterations.
-tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864
-elapsed time for k point: 0.05011630058288574
-solve_kpoint (-0.2,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 2.770564095893328 (0.348247% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.76931008042447 (0.0452723% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 2.769019050829584 (0.0105097% change)
- linmin: converged after 9 iterations.
- iteration 4: trace = 2.768934648753342 (0.00304813% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.768909972394437 (0.00089119% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 2.76890656309236 (0.000123128% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 2.768906106159755 (1.65023e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 2.76890604289365 (2.28488e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 2.76890602455087 (6.62456e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 2.768906007868233 (6.02499e-07% change)
- linmin: converged after 9 iterations.
- iteration 11: trace = 2.768905997652202 (3.68955e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 2.768905996400177 (4.52173e-08% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 2.768905996267474 (4.79261e-09% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 2.768905996251331 (5.83013e-10% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 2.768905996249788 (5.57336e-11% change)
-Finished solving for bands 1 to 8 after 15 iterations.
-tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554
-elapsed time for k point: 0.05064988136291504
-solve_kpoint (-0.266667,0.366667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 2.775951451394892 (0.330999% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.774883098720279 (0.0384934% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 2.774640612554751 (0.00873899% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 2.77456099507157 (0.00286951% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.774534593258473 (0.000951572% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.774531225311689 (0.000121388% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 2.77453070076803 (1.89057e-05% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 2.7745303594983 (1.23001e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 2.774529863123143 (1.78904e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.774529580681455 (1.01798e-05% change)
- linmin: converged after 17 iterations.
- iteration 11: trace = 2.774529533963527 (1.68381e-06% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.774529531015568 (1.06251e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 2.774529530846425 (6.09627e-09% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 2.774529530829859 (5.97101e-10% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 2.774529530826867 (1.07816e-10% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 2.774529530826193 (2.4313e-11% change)
-Finished solving for bands 1 to 8 after 16 iterations.
-tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777
-elapsed time for k point: 0.05360054969787598
-solve_kpoint (-0.333333,0.333333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 2.786010010558214 (0.314216% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 2.785094864088619 (0.0328533% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.784890622949262 (0.00733363% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 2.784815529272439 (0.0026965% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.784783018960979 (0.00116742% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 2.784775033132307 (0.000286767% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 2.784767387040601 (0.000274568% change)
- large trace change predicted (0.00145949%)
- linmin: converged after 4 iterations.
- iteration 8: trace = 2.784726863705416 (0.00145519% change)
- large trace change predicted (0.00560839%)
- linmin: converged after 6 iterations.
- iteration 9: trace = 2.784576806706098 (0.00538872% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 2.784434566582967 (0.00510827% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 2.784406387945227 (0.00101201% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 2.784404398152179 (7.1462e-05% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.784404189729956 (7.48534e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 2.78440415106141 (1.38875e-06% change)
- linmin: converged after 25 iterations.
- iteration 15: trace = 2.784404143391648 (2.75454e-07% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 2.784404142114112 (4.58818e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 2.784404141807702 (1.10045e-08% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 2.784404141512631 (1.05973e-08% change)
- large trace change predicted (3.91071e-08%)
- linmin: converged after 13 iterations.
- iteration 19: trace = 2.784404140423732 (3.91071e-08% change)
- linmin: converged after 19 iterations.
- iteration 20: trace = 2.784404138303259 (7.61553e-08% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 2.78440413567283 (9.44701e-08% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.784404132526765 (1.12989e-07% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 2.784404131138651 (4.98532e-08% change)
- linmin: converged after 2 iterations.
- iteration 24: trace = 2.784404130765973 (1.33845e-08% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 2.784404130704082 (2.22279e-09% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 2.784404130699125 (1.78041e-10% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 2.784404130698568 (1.99843e-11% change)
-Finished solving for bands 1 to 8 after 27 iterations.
-tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015
-elapsed time for k point: 0.08881855010986328
-solve_kpoint (-0.266667,0.266667,0):
-Solving for bands 1 to 8...
- linmin: converged after 7 iterations.
- iteration 1: trace = 2.77275399721332 (1.31493% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 2.767398262717903 (0.193343% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.766394048706148 (0.0362939% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.76629435931601 (0.00360365% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.766278312431585 (0.000580088% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.76627605571663 (8.15795e-05% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 2.766275726375514 (1.19056e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 2.766275697025943 (1.06098e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 2.766275694526924 (9.03387e-08% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.76627569428374 (8.79103e-09% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 2.766275694243459 (1.45613e-09% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 2.766275694206311 (1.34287e-09% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 2.766275694188479 (6.4462e-10% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 2.766275694185662 (1.01845e-10% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 2.766275694185344 (1.14944e-11% change)
-Finished solving for bands 1 to 8 after 15 iterations.
-tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772
-elapsed time for k point: 0.05037117004394531
-solve_kpoint (-0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 6 iterations.
- iteration 1: trace = 2.77149286581312 (1.30013% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 2.766681096222237 (0.173767% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.765870731016941 (0.0292944% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.76578435790659 (0.00312287% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 2.76576896412909 (0.000556581% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 2.76576691356746 (7.41408e-05% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 2.765766616476074 (1.07417e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 2.765766581509603 (1.26426e-06% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 2.765766575906306 (2.02595e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 2.765766575033984 (3.154e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 2.765766574972649 (2.21763e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 2.765766574968937 (1.34217e-10% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 2.76576657496863 (1.10951e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206
-elapsed time for k point: 0.043941497802734375
-solve_kpoint (-0.133333,0.133333,0):
-Solving for bands 1 to 8...
- linmin: converged after 6 iterations.
- iteration 1: trace = 2.791470836862398 (1.28311% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 2.787458714099723 (0.143831% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.78692603308995 (0.0191117% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.786856117715398 (0.00250872% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.786833391429703 (0.000815484% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.786827001476857 (0.000229291% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 2.786825618414127 (4.96286e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 2.786825460368142 (5.67118e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 2.786825447118284 (4.75446e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 2.786825446092698 (3.68012e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 2.786825446011258 (2.92231e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 2.786825446005849 (1.94108e-10% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.786825446005419 (1.54254e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064
-elapsed time for k point: 0.04400372505187988
-solve_kpoint (-0.0666667,0.0666667,0):
-Solving for bands 1 to 8...
- linmin: converged after 8 iterations.
- iteration 1: trace = 2.834933245505366 (1.30701% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 2.830403965065332 (0.159894% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 2.829621813628175 (0.0276377% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.829419384307018 (0.00715419% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 2.829342538493453 (0.00271599% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 2.82930572621851 (0.0013011% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 2.829276325559083 (0.00103915% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 2.829270956342432 (0.000189774% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.829270335813132 (2.19325e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 2.829270284334401 (1.81951e-06% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 2.829270280435277 (1.37814e-07% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 2.829270280036006 (1.41121e-08% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 2.829270279947548 (3.12655e-09% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 2.829270279913449 (1.20522e-09% change)
- linmin: converged after 11 iterations.
- iteration 15: trace = 2.82927027989919 (5.03975e-10% change)
- linmin: converged after 7 iterations.
- iteration 16: trace = 2.829270279889812 (3.31473e-10% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 2.829270279885793 (1.42035e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 2.829270279885341 (1.59631e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451
-elapsed time for k point: 0.06055569648742676
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 7 iterations.
- iteration 1: trace = 2.886141685835956 (1.47203% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 2.874303792321654 (0.411006% change)
- linmin: converged after 12 iterations.
- iteration 3: trace = 2.867461048283285 (0.23835% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 2.86397233934153 (0.121739% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 2.863259526579745 (0.0248921% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 2.863087260462697 (0.00601661% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 2.862987569164019 (0.00348201% change)
- large trace change predicted (0.0075076%)
- linmin: converged after 5 iterations.
- iteration 8: trace = 2.862770998312602 (0.00756479% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 2.862591893269431 (0.00625655% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 2.862540772328795 (0.00178584% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 2.862503519861274 (0.00130139% change)
- linmin: converged after 10 iterations.
- iteration 12: trace = 2.862492614384059 (0.000380978% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 2.862491127238346 (5.19528e-05% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 2.862490902676318 (7.84499e-06% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 2.862490848354844 (1.8977e-06% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 2.862490815153666 (1.15987e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 2.862490774134773 (1.43298e-06% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 2.862490747516468 (9.299e-07% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 2.862490726725277 (7.26332e-07% change)
- linmin: converged after 28 iterations.
- iteration 20: trace = 2.862490701040741 (8.97279e-07% change)
- linmin: converged after 3 iterations.
- iteration 21: trace = 2.862490690405778 (3.71528e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 2.862490688920428 (5.18901e-08% change)
- linmin: converged after 8 iterations.
- iteration 23: trace = 2.86249068872468 (6.83836e-09% change)
- linmin: converged after 19 iterations.
- iteration 24: trace = 2.862490688677492 (1.64851e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 2.862490688650855 (9.30535e-10% change)
- linmin: converged after 3 iterations.
- iteration 26: trace = 2.86249068864038 (3.65962e-10% change)
- linmin: converged after 3 iterations.
- iteration 27: trace = 2.862490688636751 (1.2675e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 2.862490688630886 (2.0491e-10% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 2.862490688622828 (2.81503e-10% change)
- linmin: converged after 3 iterations.
- iteration 30: trace = 2.862490688619476 (1.171e-10% change)
- linmin: converged after 8 iterations.
- iteration 31: trace = 2.86249068861861 (3.02369e-11% change)
-Finished solving for bands 2 to 8 after 31 iterations.
-tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224
-.elapsed time for k point: 0.08486819267272949
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 2 range: 0.2801552391378438 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046674 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.4390817228448603 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980675 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.4933684778826866 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268195 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 5 range: 0.5810352468043717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372995 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.6825317446714997 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213788 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 7 range: 0.6920145742134777 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393077 at Vector3<0.0, 0.4, 0.0>
-Band 8 range: 0.7980077872594105 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823445 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.2800915681739989) to band 2 (0.2801552391378438), 0.022729612382946834%
-Gap from band 2 (0.3985126081046674) to band 3 (0.4390817228448603), 9.687055712089714%
-Gap from band 3 (0.49288810189980675) to band 4 (0.4933684778826866), 0.09741399808674674%
-Gap from band 4 (0.5808701365268195) to band 5 (0.5810352468043717), 0.028420606345552754%
-Gap from band 5 (0.6824860801372995) to band 6 (0.6825317446714997), 0.006690686871665024%
-Gap from band 7 (0.7841042622393077) to band 8 (0.7980077872594105), 1.7575904341930733%
-total elapsed time for run: 0.9239344596862793
-done
-/tmp/meepg15Lzl/test_tri_holes-0: 2.88s
-
-/tmp/meepg15Lzl/test_tri_rods-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (0.866025, 0.5, 0)
- (0.866025, -0.5, 0)
- (0, 0, 1)
-Cell volume = 0.866025
-Reciprocal lattice vectors (/ 2 pi):
- (0.57735, 1, -0)
- (0.57735, -1, 0)
- (-0, 0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.0, 0.1, 0.0>
- Vector3<0.0, 0.2, 0.0>
- Vector3<0.0, 0.30000000000000004, 0.0>
- Vector3<0.0, 0.4, 0.0>
- Vector3<0.0, 0.5, 0.0>
- Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
- Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
- Vector3<-0.2, 0.39999999999999997, 0.0>
- Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
- Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
- Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
- Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
- Vector3<-0.1333333333333333, 0.1333333333333333, 0.0>
- Vector3<-0.06666666666666665, 0.06666666666666665, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.001445770263671875
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 13.46696798403983 (196.169% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 5.440830280549287 (84.8976% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 4.843527011222895 (11.6158% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 4.668700885441982 (3.67582% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.608869323792538 (1.28981% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 4.588596019692742 (0.440845% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.580741637908754 (0.171318% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.578987295163937 (0.0383056% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.578322878448064 (0.0145112% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.578003942463015 (0.00696646% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.577929653765463 (0.00162274% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.577907037545194 (0.000494028% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.577897255801734 (0.000213673% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 4.577895086336259 (4.739e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 4.577894696365646 (8.51856e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.57789463693543 (1.2982e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.577894629221514 (1.68504e-07% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.577894627568718 (3.61038e-08% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 4.577894626939212 (1.3751e-08% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 4.577894626693606 (5.36505e-09% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 4.57789462661256 (1.77038e-09% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 4.577894626584484 (6.1328e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 4.577894626574822 (2.11068e-10% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 4.577894626572792 (4.43323e-11% change)
-Finished solving for bands 2 to 8 after 24 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
-elapsed time for k point: 0.0664827823638916
-solve_kpoint (0,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.573594159720884 (1.05882% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.5533624235809 (0.44334% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 4.549198778889174 (0.0914829% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.547235691259341 (0.0431617% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.546720480078164 (0.0113308% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.546675795887479 (0.000982783% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.546668812199723 (0.0001536% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.546667474444716 (2.94228e-05% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.546667093982199 (8.36794e-06% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.546667026314634 (1.48829e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.546667010167314 (3.55146e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.546667005947763 (9.28054e-08% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.546667004173656 (3.90199e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.546667003528526 (1.41891e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.546667003425869 (2.25786e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 4.546667003411072 (3.25448e-10% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.546667003406389 (1.02987e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.546667003404457 (4.25075e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637
-elapsed time for k point: 0.06025815010070801
-solve_kpoint (0,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.480154501469817 (1.0243% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.462951577211212 (0.384719% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.458417513622179 (0.101645% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.456998073935351 (0.0318424% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.456802317102498 (0.00439222% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.456776714934251 (0.000574453% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.456772279362191 (9.95243e-05% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.456771848143082 (9.67559e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.45677180550385 (9.56729e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.456771799201276 (1.41416e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.456771797345358 (4.16427e-08% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.456771796664019 (1.52877e-08% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.456771796571513 (2.07564e-09% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.456771796564526 (1.56759e-10% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 4.456771796562712 (4.07144e-11% change)
-Finished solving for bands 1 to 8 after 15 iterations.
-tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281
-elapsed time for k point: 0.05054759979248047
-solve_kpoint (0,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.372440119410637 (0.691847% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.366282685668829 (0.140923% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.364947654944967 (0.0305806% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.364626763463701 (0.00735182% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 4.364572744594429 (0.00123766% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.364566107346524 (0.000152071% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.364565316740354 (1.81142e-05% change)
- linmin: converged after 15 iterations.
- iteration 8: trace = 4.364565239126184 (1.77828e-06% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 4.364565234500086 (1.05992e-07% change)
- linmin: converged after 19 iterations.
- iteration 10: trace = 4.364565233724115 (1.77789e-08% change)
- linmin: converged after 12 iterations.
- iteration 11: trace = 4.364565233381509 (7.84974e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.364565233306733 (1.71325e-09% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 4.364565233299627 (1.62798e-10% change)
- linmin: converged after 7 iterations.
- iteration 14: trace = 4.364565233298253 (3.14811e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598
-elapsed time for k point: 0.04763150215148926
-solve_kpoint (0,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.308394919604844 (0.552361% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.304883211984182 (0.0815417% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.304231324865016 (0.0151441% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 4.304101774804951 (0.00300988% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.304072509722035 (0.000679937% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.304070117659418 (5.55767e-05% change)
- linmin: converged after 18 iterations.
- iteration 7: trace = 4.304069984297116 (3.09852e-06% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.304069968915972 (3.57363e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.304069965945503 (6.90153e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.304069964779028 (2.71017e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.304069964479558 (6.95785e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.304069964440695 (9.02919e-10% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 4.304069964437598 (7.1957e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409
-elapsed time for k point: 0.044297218322753906
-solve_kpoint (0,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.287294007238772 (0.514399% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.28412496132847 (0.0739445% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.283595116492537 (0.0123684% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.283502303118704 (0.00216674% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.283478596024279 (0.000553453% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.28347715445874 (3.36541e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.28347707781069 (1.78939e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.283477070330029 (1.7464e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.283477066817817 (8.19944e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.283477065770438 (2.44516e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.283477065633831 (3.18914e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.283477065618207 (3.64749e-10% change)
- linmin: converged after 8 iterations.
- iteration 13: trace = 4.283477065616427 (4.15529e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087
-elapsed time for k point: 0.04422903060913086
-solve_kpoint (-0.0666667,0.466667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.276566747825645 (0.530593% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.266858088831402 (0.227278% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.264882331994834 (0.0463154% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.264548458692773 (0.00782874% change)
- linmin: converged after 15 iterations.
- iteration 5: trace = 4.264488730548915 (0.00140058% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.264476449097829 (0.000287994% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.264474782181724 (3.90884e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.264474642738403 (3.26988e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.264474631967129 (2.52581e-07% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.264474631257338 (1.66443e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.264474631203496 (1.26256e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.264474631199773 (8.73084e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895
-elapsed time for k point: 0.041016578674316406
-solve_kpoint (-0.133333,0.433333,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.232489072565515 (0.358169% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.229105412374748 (0.0799769% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.228655882204029 (0.01063% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.228604967100096 (0.00120406% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.228597156343835 (0.000184713% change)
- linmin: converged after 15 iterations.
- iteration 6: trace = 4.228595847507817 (3.0952e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.228595668484542 (4.23363e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.22859565366972 (3.50349e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.228595652361874 (3.09286e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.228595652271399 (2.1396e-09% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.228595652264812 (1.55766e-10% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.228595652264469 (8.10758e-12% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413
-elapsed time for k point: 0.0408785343170166
-solve_kpoint (-0.2,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.198038763849723 (0.248355% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.196704784159248 (0.0317813% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.196585228731935 (0.00284883% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.196578318037076 (0.000164674% change)
- linmin: converged after 11 iterations.
- iteration 5: trace = 4.196577861660908 (1.0875e-05% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.196577824465235 (8.86333e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.196577821831919 (6.27491e-08% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.196577821279777 (1.3157e-08% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.196577821233547 (1.10163e-09% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.19657782122971 (9.14088e-11% change)
-Finished solving for bands 1 to 8 after 10 iterations.
-tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487
-elapsed time for k point: 0.03466224670410156
-solve_kpoint (-0.266667,0.366667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.176560952862595 (0.20622% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.175731928735249 (0.0198514% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.175658188677838 (0.00176593% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.175652343488816 (0.000139983% change)
- linmin: converged after 19 iterations.
- iteration 5: trace = 4.175651823639799 (1.24495e-05% change)
- linmin: converged after 36 iterations.
- iteration 6: trace = 4.175651765087074 (1.40224e-06% change)
- linmin: converged after 25 iterations.
- iteration 7: trace = 4.175651761832761 (7.79355e-08% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.175651761361389 (1.12886e-08% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 4.175651761335722 (6.14694e-10% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.175651761333511 (5.29421e-11% change)
-Finished solving for bands 1 to 8 after 10 iterations.
-tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597
-elapsed time for k point: 0.03480362892150879
-solve_kpoint (-0.333333,0.333333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.169192632974811 (0.188262% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.168494135847975 (0.0167552% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.168418925223787 (0.00180428% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.16841215172734 (0.000162496% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 4.168411725528161 (1.02245e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.168411690634318 (8.37102e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.168411689651685 (2.35733e-08% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.168411689612854 (9.31558e-10% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.168411689609142 (8.90435e-11% change)
-Finished solving for bands 1 to 8 after 9 iterations.
-tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925
-elapsed time for k point: 0.031210899353027344
-Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911
-Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b01.z.tm.h5...
-Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316
-Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b02.z.tm.h5...
-Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953
-Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b03.z.tm.h5...
-Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657
-Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b04.z.tm.h5...
-Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168
-Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b05.z.tm.h5...
-Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186
-Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b06.z.tm.h5...
-Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881
-Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b07.z.tm.h5...
-Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096
-Outputting fields to /tmp/meepg15Lzl/test_tri_rods-0-e.k11.b08.z.tm.h5...
-solve_kpoint (-0.266667,0.266667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.201218407861227 (0.720819% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.198256255957312 (0.0705318% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.197890564842538 (0.00871093% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.197857649510743 (0.000784095% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.197854429378011 (7.6709e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.197854075525583 (8.42936e-06% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 4.197854052380287 (5.5136e-07% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.19785405041534 (4.68084e-08% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.197854050317016 (2.34224e-09% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.197854050309859 (1.7049e-10% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.1978540503093 (1.33083e-11% change)
-Finished solving for bands 1 to 8 after 11 iterations.
-tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925
-elapsed time for k point: 0.03785586357116699
-solve_kpoint (-0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.288243522338974 (0.732668% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.283958408011073 (0.099977% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.283371588299238 (0.013699% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.283281438838011 (0.00210466% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.283267824693608 (0.000317844% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 4.28326657937046 (2.90741e-05% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 4.283266497834247 (1.9036e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.283266490102651 (1.80507e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.283266489093189 (2.35676e-08% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 4.283266489000646 (2.16059e-09% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.283266488991158 (2.21502e-10% change)
- linmin: converged after 11 iterations.
- iteration 12: trace = 4.283266488990683 (1.10938e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199
-elapsed time for k point: 0.04105377197265625
-solve_kpoint (-0.133333,0.133333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.420129679060165 (0.818903% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.412260674164763 (0.178185% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.410633634426059 (0.0368822% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.410197926814338 (0.00987906% change)
- linmin: converged after 13 iterations.
- iteration 5: trace = 4.410114427040234 (0.00189335% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.410103889016636 (0.000238952% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.410102421711938 (3.32714e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.410102293698956 (2.90272e-06% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.410102277309537 (3.71634e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.410102274815385 (5.65554e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.410102274561973 (5.74616e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.410102274546353 (3.54196e-10% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 4.410102274545237 (2.53155e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113
-elapsed time for k point: 0.04426407814025879
-solve_kpoint (-0.0666667,0.0666667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.563328932101673 (1.027% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.544560398258617 (0.412138% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.537741031323376 (0.150168% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.535260913319919 (0.0546703% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.534595991553309 (0.0146622% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.534531477384966 (0.00142272% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.534520999244495 (0.000231075% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.534518657738526 (5.16374e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.534517831347481 (1.82245e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.5345176853933 (3.21874e-06% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.534517644423108 (9.03518e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.534517627208908 (3.79626e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.534517623618732 (7.91744e-08% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 4.534517622906264 (1.57121e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.534517622781556 (2.7502e-09% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 4.53451762276076 (4.58611e-10% change)
- linmin: converged after 8 iterations.
- iteration 17: trace = 4.5345176227572 (7.85245e-11% change)
-Finished solving for bands 1 to 8 after 17 iterations.
-tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149
-elapsed time for k point: 0.05715775489807129
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.620932082276254 (1.44492% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.585858477331197 (0.761907% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.579350993234815 (0.142004% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.578211771379737 (0.0248805% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.577956393189929 (0.00557828% change)
- linmin: converged after 16 iterations.
- iteration 6: trace = 4.577915173102078 (0.000900408% change)
- linmin: converged after 8 iterations.
- iteration 7: trace = 4.577900193794617 (0.000327209% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.577895724955983 (9.76177e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.577894738564553 (2.15468e-05% change)
- linmin: converged after 10 iterations.
- iteration 10: trace = 4.577894647524367 (1.98869e-06% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.577894631981888 (3.39512e-07% change)
- linmin: converged after 7 iterations.
- iteration 12: trace = 4.577894627560067 (9.65907e-08% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.577894626684431 (1.91275e-08% change)
- linmin: converged after 7 iterations.
- iteration 14: trace = 4.577894626586341 (2.1427e-09% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.577894626573657 (2.77072e-10% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 4.577894626572483 (2.56293e-11% change)
-Finished solving for bands 2 to 8 after 16 iterations.
-tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
-elapsed time for k point: 0.044869422912597656
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0>
-Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0>
-Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506%
-Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974%
-Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144%
-Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158%
-Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939%
-total elapsed time for run: 0.7380962371826172
-done
-Read lattice vectors
-Read Bloch wavevector (-0.333333, 0.333333, 0)
-Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1)
-Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3)
-Input data is rank 2, size 32x32x1.
-Output data 96x83x1
-real part range: -1.03932 .. 1.03493
-imag part range: -1.08496 .. 1.08496
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (0.866025, 0.5, 0)
- (0.866025, -0.5, 0)
- (0, 0, 1)
-Cell volume = 0.866025
-Reciprocal lattice vectors (/ 2 pi):
- (0.57735, 1, -0)
- (0.57735, -1, 0)
- (-0, 0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Solving for band polarization: te.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.0, 0.1, 0.0>
- Vector3<0.0, 0.2, 0.0>
- Vector3<0.0, 0.30000000000000004, 0.0>
- Vector3<0.0, 0.4, 0.0>
- Vector3<0.0, 0.5, 0.0>
- Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
- Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
- Vector3<-0.2, 0.39999999999999997, 0.0>
- Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
- Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
- Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
- Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
- Vector3<-0.1333333333333333, 0.1333333333333333, 0.0>
- Vector3<-0.06666666666666665, 0.06666666666666665, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0014796257019042969
-solve_kpoint (0,0,0):
-tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 9 iterations.
- iteration 1: trace = 17.36160904168523 (195.027% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 7.562476866233164 (78.6318% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 6.689988797283942 (12.2433% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.443872873233596 (3.74781% change)
- linmin: converged after 7 iterations.
- iteration 5: trace = 6.353949184309336 (1.4053% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 6.308924004687213 (0.711137% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 6.270403953073519 (0.612434% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.245962911349093 (0.390545% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.231123952690525 (0.237859% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.222648387566821 (0.136112% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.218459085006945 (0.0673461% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.215474845128731 (0.0480015% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.213476033896002 (0.0321638% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.211799733839418 (0.0269821% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 6.210166322657484 (0.0262988% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 6.208765013189226 (0.0225673% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 6.20745864212499 (0.021043% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.206496965898328 (0.0154935% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 6.205910205793511 (0.00945441% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 6.205612235735023 (0.00480151% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 6.205499078041604 (0.00182349% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 6.205434445474109 (0.00104154% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.205390974318142 (0.000700536% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 6.205367423163241 (0.000379528% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 6.205356899945473 (0.000169583% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 6.205352210725811 (7.55673e-05% change)
- linmin: converged after 5 iterations.
- iteration 27: trace = 6.205348781520899 (5.52621e-05% change)
- linmin: converged after 5 iterations.
- iteration 28: trace = 6.205345652519164 (5.04243e-05% change)
- linmin: converged after 5 iterations.
- iteration 29: trace = 6.205343137714785 (4.05264e-05% change)
- linmin: converged after 5 iterations.
- iteration 30: trace = 6.205341359594259 (2.86547e-05% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 6.205340285757588 (1.7305e-05% change)
- linmin: converged after 4 iterations.
- iteration 32: trace = 6.20533940186276 (1.42441e-05% change)
- linmin: converged after 5 iterations.
- iteration 33: trace = 6.205338538782249 (1.39087e-05% change)
- linmin: converged after 5 iterations.
- iteration 34: trace = 6.205338005701472 (8.59068e-06% change)
- linmin: converged after 12 iterations.
- iteration 35: trace = 6.205337792804401 (3.43087e-06% change)
- linmin: converged after 2 iterations.
- iteration 36: trace = 6.205337727926739 (1.04551e-06% change)
- linmin: converged after 2 iterations.
- iteration 37: trace = 6.205337700663021 (4.39359e-07% change)
- linmin: converged after 2 iterations.
- iteration 38: trace = 6.205337682075854 (2.99535e-07% change)
- linmin: converged after 2 iterations.
- iteration 39: trace = 6.205337670235149 (1.90815e-07% change)
- linmin: converged after 16 iterations.
- iteration 40: trace = 6.205337663603182 (1.06875e-07% change)
- linmin: converged after 17 iterations.
- iteration 41: trace = 6.205337659444976 (6.70102e-08% change)
- linmin: converged after 2 iterations.
- iteration 42: trace = 6.205337656270723 (5.11536e-08% change)
- linmin: converged after 3 iterations.
- iteration 43: trace = 6.205337653590539 (4.31916e-08% change)
- linmin: converged after 2 iterations.
- iteration 44: trace = 6.205337651674612 (3.08755e-08% change)
- linmin: converged after 11 iterations.
- iteration 45: trace = 6.205337650112214 (2.51783e-08% change)
- linmin: converged after 3 iterations.
- iteration 46: trace = 6.205337648922311 (1.91755e-08% change)
- linmin: converged after 3 iterations.
- iteration 47: trace = 6.205337648157427 (1.23262e-08% change)
- linmin: converged after 11 iterations.
- iteration 48: trace = 6.205337647646608 (8.23193e-09% change)
- linmin: converged after 4 iterations.
- iteration 49: trace = 6.205337647357136 (4.66488e-09% change)
- linmin: converged after 3 iterations.
- iteration 50: trace = 6.205337647220228 (2.2063e-09% change)
- linmin: converged after 7 iterations.
- iteration 51: trace = 6.205337647170962 (7.93921e-10% change)
- linmin: converged after 5 iterations.
- iteration 52: trace = 6.205337647152469 (2.98014e-10% change)
- linmin: converged after 4 iterations.
- iteration 53: trace = 6.205337647143446 (1.45421e-10% change)
- linmin: converged after 3 iterations.
- iteration 54: trace = 6.205337647136502 (1.119e-10% change)
- linmin: converged after 3 iterations.
- iteration 55: trace = 6.20533764713018 (1.01881e-10% change)
- linmin: converged after 2 iterations.
- iteration 56: trace = 6.205337647125866 (6.95189e-11% change)
-Finished solving for bands 2 to 8 after 56 iterations.
-tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681
-elapsed time for k point: 0.152801513671875
-solve_kpoint (0,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 6.158539024420285 (1.66275% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.098032659807416 (0.987329% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.081903131798306 (0.264854% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.0743767056313 (0.123828% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.072216470542617 (0.0355694% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 6.071224930874287 (0.0163305% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.070791668858648 (0.00713657% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.070592820913727 (0.00327554% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 6.070504835682327 (0.00144938% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 6.070476174703718 (0.000472136% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.070466776951306 (0.000154811% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.070462362656812 (7.27176e-05% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.070460758493462 (2.64257e-05% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.070460318551028 (7.24727e-06% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 6.070460193420171 (2.06131e-06% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 6.070460137715083 (9.17642e-07% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 6.070460108900737 (4.74665e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.070460095276794 (2.2443e-07% change)
- linmin: converged after 13 iterations.
- iteration 19: trace = 6.070460086895674 (1.38064e-07% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.070460079863565 (1.15841e-07% change)
- linmin: converged after 21 iterations.
- iteration 21: trace = 6.070460075401996 (7.34964e-08% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 6.07046007280923 (4.27112e-08% change)
- linmin: converged after 22 iterations.
- iteration 23: trace = 6.070460071630645 (1.94151e-08% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.070460071141092 (8.06452e-09% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 6.070460070886771 (4.18948e-09% change)
- linmin: converged after 17 iterations.
- iteration 26: trace = 6.070460070770777 (1.9108e-09% change)
- linmin: converged after 19 iterations.
- iteration 27: trace = 6.070460070719212 (8.49426e-10% change)
- linmin: converged after 15 iterations.
- iteration 28: trace = 6.070460070698457 (3.41915e-10% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 6.070460070686249 (2.01105e-10% change)
- linmin: converged after 6 iterations.
- iteration 30: trace = 6.070460070677964 (1.36479e-10% change)
- linmin: converged after 7 iterations.
- iteration 31: trace = 6.070460070673303 (7.67843e-11% change)
-Finished solving for bands 1 to 8 after 31 iterations.
-tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151
-elapsed time for k point: 0.102691650390625
-solve_kpoint (0,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.879585450105075 (0.610248% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.864179164990823 (0.262374% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.859434248091473 (0.0809463% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.85734339458572 (0.0356899% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.856604562107861 (0.0126146% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.856366774447974 (0.00406024% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.856287811142867 (0.00134834% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.8562580469796 (0.000508244% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 5.856247804313772 (0.000174901% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.85624293285553 (8.3184e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.856240727525849 (3.76578e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.856239109988362 (2.76208e-05% change)
- linmin: converged after 5 iterations.
- iteration 13: trace = 5.856238145767128 (1.64649e-05% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 5.856237866910514 (4.7617e-06% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.856237777124198 (1.53317e-06% change)
- linmin: converged after 9 iterations.
- iteration 16: trace = 5.856237751868005 (4.3127e-07% change)
- linmin: converged after 14 iterations.
- iteration 17: trace = 5.856237743987796 (1.34561e-07% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.856237740787504 (5.46476e-08% change)
- linmin: converged after 7 iterations.
- iteration 19: trace = 5.856237739089932 (2.89874e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.856237737682887 (2.40264e-08% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.856237736546375 (1.94069e-08% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.856237735790081 (1.29143e-08% change)
- linmin: converged after 12 iterations.
- iteration 23: trace = 5.856237735217746 (9.77308e-09% change)
- linmin: converged after 5 iterations.
- iteration 24: trace = 5.856237734948408 (4.59917e-09% change)
- linmin: converged after 6 iterations.
- iteration 25: trace = 5.85623773479514 (2.61718e-09% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 5.856237734734318 (1.03858e-09% change)
- linmin: converged after 7 iterations.
- iteration 27: trace = 5.8562377347143 (3.4182e-10% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 5.856237734707856 (1.10047e-10% change)
- linmin: converged after 3 iterations.
- iteration 29: trace = 5.856237734706174 (2.87099e-11% change)
-Finished solving for bands 1 to 8 after 29 iterations.
-tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298
-elapsed time for k point: 0.09614682197570801
-solve_kpoint (0,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.688335296912762 (0.327793% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.682021917679271 (0.11105% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.680153605103612 (0.0328865% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.679577245559956 (0.0101474% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.679381210031131 (0.00345165% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.679338397146944 (0.000753833% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.679327009082156 (0.000200518% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.679321501429015 (9.69773e-05% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.679318695796002 (4.94009e-05% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.679317068872693 (2.86465e-05% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.679316526996136 (9.54123e-06% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.67931632497745 (3.5571e-06% change)
- linmin: converged after 24 iterations.
- iteration 13: trace = 5.679316252366132 (1.27852e-06% change)
- linmin: converged after 8 iterations.
- iteration 14: trace = 5.679316236097754 (2.8645e-07% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.679316231672791 (7.79137e-08% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.679316229977098 (2.98574e-08% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.679316229108179 (1.52997e-08% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.679316228341648 (1.34969e-08% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.679316227585913 (1.33068e-08% change)
- linmin: converged after 11 iterations.
- iteration 20: trace = 5.679316226988038 (1.05272e-08% change)
- linmin: converged after 12 iterations.
- iteration 21: trace = 5.679316226705491 (4.97502e-09% change)
- linmin: converged after 6 iterations.
- iteration 22: trace = 5.679316226637818 (1.19157e-09% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.679316226609474 (4.99066e-10% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 5.679316226600841 (1.52009e-10% change)
- linmin: converged after 3 iterations.
- iteration 25: trace = 5.679316226598069 (4.88088e-11% change)
-Finished solving for bands 1 to 8 after 25 iterations.
-tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117
-elapsed time for k point: 0.08314919471740723
-solve_kpoint (0,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 5.572181213523258 (0.241977% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.568600925705777 (0.0642735% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.567657736853494 (0.0169391% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.567444170135015 (0.00383592% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 5.56737762049015 (0.00119534% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.567363512847024 (0.000253399% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 5.567360010913097 (6.29011e-05% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.567358378549423 (2.93203e-05% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.567357563479846 (1.46402e-05% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.567357125846613 (7.8607e-06% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.567356991067824 (2.42088e-06% change)
- linmin: converged after 10 iterations.
- iteration 12: trace = 5.56735695750588 (6.02834e-07% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.567356948843483 (1.55593e-07% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.56735694679832 (3.67349e-08% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 5.567356946093132 (1.26665e-08% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.567356945636325 (8.2051e-09% change)
- linmin: converged after 23 iterations.
- iteration 17: trace = 5.567356945304206 (5.96547e-09% change)
- linmin: converged after 10 iterations.
- iteration 18: trace = 5.567356944950225 (6.35815e-09% change)
- linmin: converged after 13 iterations.
- iteration 19: trace = 5.567356944690506 (4.66504e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.567356944584955 (1.89588e-09% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 5.567356944550361 (6.21382e-10% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.567356944542208 (1.46436e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 5.567356944539206 (5.39222e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107
-elapsed time for k point: 0.07690262794494629
-solve_kpoint (0,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 5.53273810674195 (0.208662% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.530094842108783 (0.0477864% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.529443009715253 (0.0117877% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.529317903820751 (0.00226257% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.529282320152151 (0.000643547% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.529274170469025 (0.000147391% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.529272236624154 (3.49747e-05% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.529271606108956 (1.14032e-05% change)
- linmin: converged after 26 iterations.
- iteration 9: trace = 5.529271436020496 (3.07615e-06% change)
- linmin: converged after 3 iterations.
- iteration 10: trace = 5.529271373878374 (1.12388e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.529271337491399 (6.58079e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.529271320740965 (3.02941e-07% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.529271315549563 (9.38894e-08% change)
- linmin: converged after 6 iterations.
- iteration 14: trace = 5.529271314495562 (1.90622e-08% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.529271314233555 (4.73853e-09% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.529271314081587 (2.74843e-09% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.529271313980214 (1.83339e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.529271313876957 (1.86746e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.52927131377775 (1.79421e-09% change)
- linmin: converged after 13 iterations.
- iteration 20: trace = 5.529271313733426 (8.01618e-10% change)
- linmin: converged after 11 iterations.
- iteration 21: trace = 5.529271313721342 (2.18556e-10% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.529271313719439 (3.44074e-11% change)
-Finished solving for bands 1 to 8 after 22 iterations.
-tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088
-elapsed time for k point: 0.0736234188079834
-solve_kpoint (-0.0666667,0.466667,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.538985517448269 (0.141109% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.534550185471011 (0.0801069% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.53328893111629 (0.0227913% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.532631711818752 (0.0118783% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.532342815996529 (0.00522181% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 5.53223657988561 (0.00192029% change)
- linmin: converged after 10 iterations.
- iteration 7: trace = 5.532184612246406 (0.000939365% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.532165289409572 (0.000349281% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 5.53215699790288 (0.000149878% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.532154378963375 (4.73403e-05% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 5.532153853741139 (9.49399e-06% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.532153673436557 (3.25921e-06% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.53215362460911 (8.82612e-07% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.532153611036561 (2.45339e-07% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.532153607469195 (6.44842e-08% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 5.532153606672814 (1.43955e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.53215360642539 (4.47248e-09% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.532153606309885 (2.08788e-09% change)
- linmin: converged after 7 iterations.
- iteration 19: trace = 5.532153606238235 (1.29516e-09% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.532153606171856 (1.19987e-09% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 5.532153606115745 (1.01426e-09% change)
- linmin: converged after 3 iterations.
- iteration 22: trace = 5.532153606087498 (5.10608e-10% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 5.532153606073365 (2.55465e-10% change)
- linmin: converged after 6 iterations.
- iteration 24: trace = 5.53215360606891 (8.05311e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081
-elapsed time for k point: 0.07975983619689941
-solve_kpoint (-0.133333,0.433333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.545510165467671 (0.156486% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.53970135058995 (0.104803% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.537423366333638 (0.0411295% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.535869635928369 (0.0280627% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.535105335921414 (0.0138073% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.53483989949765 (0.00479562% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.534735453565166 (0.00188708% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.534709296156107 (0.000472606% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.534699673866182 (0.000173854% change)
- linmin: converged after 8 iterations.
- iteration 10: trace = 5.534696883149076 (5.04222e-05% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 5.534696297656427 (1.05786e-05% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.534696086069314 (3.82292e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.534696023141974 (1.13696e-06% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 5.534696003432254 (3.56112e-07% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.534695997023212 (1.15798e-07% change)
- linmin: converged after 12 iterations.
- iteration 16: trace = 5.534695995144546 (3.39434e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.534695994510907 (1.14485e-08% change)
- linmin: converged after 17 iterations.
- iteration 18: trace = 5.534695994207872 (5.47519e-09% change)
- linmin: converged after 2 iterations.
- iteration 19: trace = 5.534695994030399 (3.20656e-09% change)
- linmin: converged after 12 iterations.
- iteration 20: trace = 5.534695993871264 (2.87522e-09% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.534695993784569 (1.56638e-09% change)
- linmin: converged after 7 iterations.
- iteration 22: trace = 5.534695993753224 (5.66347e-10% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 5.534695993742776 (1.88766e-10% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 5.534695993739176 (6.50404e-11% change)
-Finished solving for bands 1 to 8 after 24 iterations.
-tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059
-elapsed time for k point: 0.07984066009521484
-solve_kpoint (-0.2,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.539951339880242 (0.178088% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.532912895847705 (0.12713% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.529976673731458 (0.0530824% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.528255687466732 (0.0311259% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.527477327141118 (0.0140807% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 5.527260627433148 (0.00392049% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.527174950010757 (0.0015501% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.527154244268933 (0.000374618% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 5.527144578125395 (0.000174885% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 5.527141353729434 (5.83375e-05% change)
- linmin: converged after 6 iterations.
- iteration 11: trace = 5.527140472049874 (1.59518e-05% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 5.527140149104516 (5.8429e-06% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 5.527140063332194 (1.55184e-06% change)
- linmin: converged after 16 iterations.
- iteration 14: trace = 5.527140039497723 (4.31226e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.527140030767502 (1.57952e-07% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 5.527140027391178 (6.10863e-08% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 5.527140025708313 (3.04473e-08% change)
- linmin: converged after 14 iterations.
- iteration 18: trace = 5.527140024739849 (1.7522e-08% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 5.52714002424971 (8.86785e-09% change)
- linmin: converged after 15 iterations.
- iteration 20: trace = 5.527140024034408 (3.89537e-09% change)
- linmin: converged after 16 iterations.
- iteration 21: trace = 5.527140023982145 (9.45556e-10% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.527140023969887 (2.2179e-10% change)
- linmin: converged after 15 iterations.
- iteration 23: trace = 5.527140023966947 (5.31897e-11% change)
-Finished solving for bands 1 to 8 after 23 iterations.
-tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024
-elapsed time for k point: 0.07692265510559082
-solve_kpoint (-0.266667,0.366667,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.522657858711453 (0.154096% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.51765344023986 (0.0906572% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.515894145978647 (0.0318899% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.515136110127697 (0.0137437% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 5.514757022135095 (0.00687383% change)
- linmin: converged after 12 iterations.
- iteration 6: trace = 5.514652113037982 (0.00190235% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.514602232259413 (0.000904518% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.514589888306563 (0.000223841% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.514584139299159 (0.000104251% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.514582298956496 (3.33723e-05% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.514581753925765 (9.88345e-06% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.51458155129702 (3.67442e-06% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.514581501626841 (9.00706e-07% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 5.514581491384362 (1.85734e-07% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 5.514581488005883 (6.12645e-08% change)
- linmin: converged after 37 iterations.
- iteration 16: trace = 5.514581486953495 (1.90837e-08% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 5.514581486665204 (5.2278e-09% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 5.514581486577281 (1.59437e-09% change)
- linmin: converged after 8 iterations.
- iteration 19: trace = 5.514581486551829 (4.6155e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.514581486536885 (2.70983e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.51458148652924 (1.3864e-10% change)
- linmin: converged after 5 iterations.
- iteration 22: trace = 5.514581486526159 (5.58717e-11% change)
-Finished solving for bands 1 to 8 after 22 iterations.
-tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983
-elapsed time for k point: 0.07359600067138672
-solve_kpoint (-0.333333,0.333333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.513146354883722 (0.11801% change)
- linmin: converged after 3 iterations.
- iteration 2: trace = 5.510121677342044 (0.0548781% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.509211811143087 (0.016514% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.508907839981763 (0.00551766% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 5.508737669131319 (0.00308906% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.508683639257633 (0.000980808% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.50865412206727 (0.000535832% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.50864669288852 (0.000134864% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 5.508643590274295 (5.63226e-05% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.508642644310975 (1.71723e-05% change)
- linmin: converged after 5 iterations.
- iteration 11: trace = 5.50864236513062 (5.06804e-06% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 5.508642262323828 (1.86628e-06% change)
- linmin: converged after 8 iterations.
- iteration 13: trace = 5.50864223788113 (4.43715e-07% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 5.508642233589994 (7.78982e-08% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.508642232550772 (1.88653e-08% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.508642232232834 (5.77163e-09% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.5086422321571 (1.37482e-09% change)
- linmin: converged after 4 iterations.
- iteration 18: trace = 5.508642232135503 (3.92056e-10% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.508642232131606 (7.07332e-11% change)
-Finished solving for bands 1 to 8 after 19 iterations.
-tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941
-elapsed time for k point: 0.06384611129760742
-solve_kpoint (-0.266667,0.266667,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.55058118313115 (0.389346% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.542766757881417 (0.140885% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.540530252342469 (0.0403581% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.539782553670534 (0.013496% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.539265295830601 (0.00933759% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.539067918395565 (0.00356331% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.538979756672791 (0.00159165% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 5.538958695418 (0.000380238% change)
- linmin: converged after 10 iterations.
- iteration 9: trace = 5.538951634380076 (0.00012748% change)
- linmin: converged after 5 iterations.
- iteration 10: trace = 5.538948975756819 (4.79987e-05% change)
- linmin: converged after 9 iterations.
- iteration 11: trace = 5.538948192460806 (1.41416e-05% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 5.538947835307317 (6.44804e-06% change)
- linmin: converged after 8 iterations.
- iteration 13: trace = 5.538947686577423 (2.68517e-06% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 5.538947636561917 (9.02978e-07% change)
- linmin: converged after 2 iterations.
- iteration 15: trace = 5.538947618030138 (3.34572e-07% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 5.538947613905355 (7.44687e-08% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.538947613187684 (1.29568e-08% change)
- linmin: converged after 16 iterations.
- iteration 18: trace = 5.538947612989022 (3.58665e-09% change)
- linmin: converged after 10 iterations.
- iteration 19: trace = 5.538947612948638 (7.29086e-10% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.538947612937269 (2.0525e-10% change)
- linmin: converged after 7 iterations.
- iteration 21: trace = 5.538947612933673 (6.49263e-11% change)
-Finished solving for bands 1 to 8 after 21 iterations.
-tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866
-elapsed time for k point: 0.0703592300415039
-solve_kpoint (-0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 3 iterations.
- iteration 1: trace = 5.647301200611738 (0.329684% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.640927549608877 (0.112926% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 5.638790479454456 (0.0378923% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.637897868749102 (0.0158311% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.637265321496212 (0.0112202% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.637035875264222 (0.00407025% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.636936166368233 (0.00176883% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 5.636905106755414 (0.000551003% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 5.636896042414138 (0.000160804% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.636893338294144 (4.79718e-05% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 5.63689288185743 (8.09731e-06% change)
- linmin: converged after 20 iterations.
- iteration 12: trace = 5.636892759768465 (2.16589e-06% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 5.636892722735103 (6.56982e-07% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 5.636892712210973 (1.86701e-07% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 5.636892708239743 (7.04507e-08% change)
- linmin: converged after 29 iterations.
- iteration 16: trace = 5.636892706830092 (2.50076e-08% change)
- linmin: converged after 19 iterations.
- iteration 17: trace = 5.636892706179626 (1.15394e-08% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 5.636892705778898 (7.10903e-09% change)
- linmin: converged after 18 iterations.
- iteration 19: trace = 5.636892705608984 (3.01432e-09% change)
- linmin: converged after 6 iterations.
- iteration 20: trace = 5.636892705551562 (1.01869e-09% change)
- linmin: converged after 6 iterations.
- iteration 21: trace = 5.636892705530972 (3.65268e-10% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 5.636892705526574 (7.80263e-11% change)
-Finished solving for bands 1 to 8 after 22 iterations.
-tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904
-elapsed time for k point: 0.07357168197631836
-solve_kpoint (-0.133333,0.133333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 5.818503972293691 (0.323359% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 5.811864946631749 (0.114167% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 5.80959695559026 (0.0390311% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 5.808664036811325 (0.0160595% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 5.808059684314398 (0.0104049% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 5.807780352579808 (0.0048095% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 5.807591816899011 (0.00324631% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 5.807497036546474 (0.00163202% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 5.807463230771279 (0.000582107% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 5.807448604624893 (0.000251851% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 5.807443106317815 (9.46769e-05% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 5.807439494876415 (6.21864e-05% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 5.807437481552949 (3.4668e-05% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 5.807436670284365 (1.39695e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 5.807436289960402 (6.54891e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 5.807436162892385 (2.18802e-06% change)
- linmin: converged after 3 iterations.
- iteration 17: trace = 5.807436126334485 (6.29502e-07% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 5.807436116187895 (1.74717e-07% change)
- linmin: converged after 4 iterations.
- iteration 19: trace = 5.807436113287419 (4.99442e-08% change)
- linmin: converged after 4 iterations.
- iteration 20: trace = 5.807436112416773 (1.49919e-08% change)
- linmin: converged after 8 iterations.
- iteration 21: trace = 5.807436112088626 (5.65047e-09% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 5.807436111990084 (1.69682e-09% change)
- linmin: converged after 16 iterations.
- iteration 23: trace = 5.807436111928493 (1.06055e-09% change)
- linmin: converged after 13 iterations.
- iteration 24: trace = 5.807436111892697 (6.16387e-10% change)
- linmin: converged after 10 iterations.
- iteration 25: trace = 5.807436111861503 (5.37134e-10% change)
- linmin: converged after 4 iterations.
- iteration 26: trace = 5.807436111844972 (2.84648e-10% change)
- linmin: converged after 9 iterations.
- iteration 27: trace = 5.807436111839939 (8.667e-11% change)
-Finished solving for bands 1 to 8 after 27 iterations.
-tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098
-elapsed time for k point: 0.08970785140991211
-solve_kpoint (-0.0666667,0.0666667,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 6.058568816406366 (0.404469% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 6.047217423444727 (0.187537% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.0428693536347 (0.0719279% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.041115569071303 (0.0290266% change)
- linmin: converged after 3 iterations.
- iteration 5: trace = 6.040281476957603 (0.0138079% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 6.039949783541457 (0.00549151% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 6.039732337732385 (0.00360019% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.039536476498154 (0.00324293% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 6.039366429150508 (0.00281561% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.039238347543021 (0.0021208% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 6.039190527154679 (0.000791831% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.039166804291315 (0.000392816% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 6.039155082215229 (0.000194101% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.039151356031256 (6.17004e-05% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 6.039149892355141 (2.42365e-05% change)
- linmin: converged after 3 iterations.
- iteration 16: trace = 6.039149291361488 (9.95163e-06% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 6.039148998716701 (4.84579e-06% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 6.039148870832841 (2.11758e-06% change)
- linmin: converged after 5 iterations.
- iteration 19: trace = 6.039148806998382 (1.05701e-06% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.039148770819057 (5.9908e-07% change)
- linmin: converged after 4 iterations.
- iteration 21: trace = 6.039148755038091 (2.61311e-07% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 6.039148750226732 (7.96695e-08% change)
- linmin: converged after 4 iterations.
- iteration 23: trace = 6.039148748437229 (2.96317e-08% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 6.039148747735014 (1.16277e-08% change)
- linmin: converged after 4 iterations.
- iteration 25: trace = 6.039148747103849 (1.04512e-08% change)
- linmin: converged after 13 iterations.
- iteration 26: trace = 6.039148746498664 (1.0021e-08% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.039148745995293 (8.33513e-09% change)
- linmin: converged after 27 iterations.
- iteration 28: trace = 6.039148745700733 (4.87751e-09% change)
- linmin: converged after 4 iterations.
- iteration 29: trace = 6.039148745569342 (2.17565e-09% change)
- linmin: converged after 9 iterations.
- iteration 30: trace = 6.039148745510182 (9.79605e-10% change)
- linmin: converged after 4 iterations.
- iteration 31: trace = 6.039148745490022 (3.33834e-10% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 6.039148745481262 (1.45055e-10% change)
- linmin: converged after 4 iterations.
- iteration 33: trace = 6.03914874547851 (4.55623e-11% change)
-Finished solving for bands 1 to 8 after 33 iterations.
-tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448
-elapsed time for k point: 0.10901665687561035
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 6 iterations.
- iteration 1: trace = 6.298730915271923 (0.895356% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 6.245437546859799 (0.849692% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 6.223334153898405 (0.35454% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 6.211975635419504 (0.182682% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 6.208144497511515 (0.0616924% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 6.206836175369097 (0.0210765% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 6.206168982919507 (0.0107499% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 6.205804637845149 (0.00587086% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 6.205532505964936 (0.00438521% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 6.205428325423106 (0.00167885% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 6.205403953115949 (0.000392759% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 6.205389695901296 (0.000229755% change)
- linmin: converged after 8 iterations.
- iteration 13: trace = 6.205378818817473 (0.000175285% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 6.205369022899885 (0.000157862% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 6.205362148408089 (0.000110783% change)
- linmin: converged after 5 iterations.
- iteration 16: trace = 6.205354260892521 (0.000127108% change)
- linmin: converged after 5 iterations.
- iteration 17: trace = 6.205347521566777 (0.000108605% change)
- linmin: converged after 5 iterations.
- iteration 18: trace = 6.205343387171193 (6.66264e-05% change)
- linmin: converged after 6 iterations.
- iteration 19: trace = 6.205340291032243 (4.98947e-05% change)
- linmin: converged after 3 iterations.
- iteration 20: trace = 6.205338895537121 (2.24886e-05% change)
- linmin: converged after 2 iterations.
- iteration 21: trace = 6.205338348830022 (8.81027e-06% change)
- linmin: converged after 2 iterations.
- iteration 22: trace = 6.205338035122779 (5.05544e-06% change)
- linmin: converged after 2 iterations.
- iteration 23: trace = 6.205337843118102 (3.09419e-06% change)
- linmin: converged after 3 iterations.
- iteration 24: trace = 6.205337736263875 (1.72197e-06% change)
- linmin: converged after 2 iterations.
- iteration 25: trace = 6.205337681834897 (8.77132e-07% change)
- linmin: converged after 2 iterations.
- iteration 26: trace = 6.205337658438697 (3.77033e-07% change)
- linmin: converged after 4 iterations.
- iteration 27: trace = 6.20533765017481 (1.33174e-07% change)
- linmin: converged after 3 iterations.
- iteration 28: trace = 6.205337648379762 (2.89275e-08% change)
- linmin: converged after 2 iterations.
- iteration 29: trace = 6.20533764781293 (9.1346e-09% change)
- linmin: converged after 2 iterations.
- iteration 30: trace = 6.205337647526114 (4.62208e-09% change)
- linmin: converged after 3 iterations.
- iteration 31: trace = 6.205337647305309 (3.5583e-09% change)
- linmin: converged after 6 iterations.
- iteration 32: trace = 6.205337647187878 (1.89243e-09% change)
- linmin: converged after 3 iterations.
- iteration 33: trace = 6.205337647139043 (7.86979e-10% change)
- linmin: converged after 4 iterations.
- iteration 34: trace = 6.205337647127346 (1.8849e-10% change)
- linmin: converged after 3 iterations.
- iteration 35: trace = 6.205337647122201 (8.2916e-11% change)
-Finished solving for bands 2 to 8 after 35 iterations.
-tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681
-elapsed time for k point: 0.0959482192993164
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675777 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 2 range: 0.4730722390280759 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714032 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839753 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.7676614799039002 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191522 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 5 range: 0.865194814441527 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594299 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.8652307994936863 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.033423091041983 at Vector3<0.0, 0.0, 0.0>
-Band 7 range: 1.021367669109369 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575178 at Vector3<0.0, 0.0, 0.0>
-Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255356 at Vector3<0.0, 0.0, 0.0>
-Gap from band 2 (0.5631059378714032) to band 3 (0.5631505198559037), 0.007916844195590661%
-Gap from band 4 (0.8214230044191522) to band 5 (0.865194814441527), 5.190483526605094%
-total elapsed time for run: 1.4005632400512695
-done
-epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill"
-Read lattice vectors
-Read Bloch wavevector (0, 0, 0)
-Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1)
-Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3)
-Input data is rank 2, size 32x32x1.
-Output data 96x83x1
-real part range: 1 .. 12
-./tmp/meepg15Lzl/test_tri_rods-0: 2.15s
-
-/tmp/meepg15Lzl/test_triangular_lattice-0
-========================
-Initializing eigensolver data
-Computing 8 bands with 1e-12 tolerance
-Working in 2 dimensions.
-Grid size is 32 x 32 x 1.
-Solving for 8 bands at a time.
-Creating Maxwell data...
-Mesh size is 3.
-Lattice vectors:
- (0.866025, 0.5, 0)
- (0.866025, -0.5, 0)
- (0, 0, 1)
-Cell volume = 0.866025
-Reciprocal lattice vectors (/ 2 pi):
- (0.57735, 1, -0)
- (0.57735, -1, 0)
- (-0, 0, 1)
-Geometric objects:
- cylinder, center = (0,0,0)
- radius 0.2, height 1e+20, axis (0, 0, 1)
-Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects)
-Initializing epsilon function...
-Allocating fields...
-Solving for band polarization: tm.
-Initializing fields to random numbers...
-16 k-points
- Vector3<0.0, 0.0, 0.0>
- Vector3<0.0, 0.1, 0.0>
- Vector3<0.0, 0.2, 0.0>
- Vector3<0.0, 0.30000000000000004, 0.0>
- Vector3<0.0, 0.4, 0.0>
- Vector3<0.0, 0.5, 0.0>
- Vector3<-0.06666666666666667, 0.4666666666666667, 0.0>
- Vector3<-0.13333333333333333, 0.43333333333333335, 0.0>
- Vector3<-0.2, 0.39999999999999997, 0.0>
- Vector3<-0.26666666666666666, 0.36666666666666664, 0.0>
- Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
- Vector3<-0.26666666666666666, 0.26666666666666666, 0.0>
- Vector3<-0.19999999999999998, 0.19999999999999998, 0.0>
- Vector3<-0.1333333333333333, 0.1333333333333333, 0.0>
- Vector3<-0.06666666666666665, 0.06666666666666665, 0.0>
- Vector3<0.0, 0.0, 0.0>
-elapsed time for initialization: 0.0014598369598388672
-solve_kpoint (0,0,0):
-tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8
-Solving for bands 2 to 8...
- near maximum in trace
- linmin: converged after 10 iterations.
- iteration 1: trace = 13.46696798403983 (196.169% change)
- linmin: converged after 7 iterations.
- iteration 2: trace = 5.440830280549287 (84.8976% change)
- linmin: converged after 6 iterations.
- iteration 3: trace = 4.843527011222895 (11.6158% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 4.668700885441982 (3.67582% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.608869323792538 (1.28981% change)
- linmin: converged after 7 iterations.
- iteration 6: trace = 4.588596019692742 (0.440845% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.580741637908754 (0.171318% change)
- linmin: converged after 4 iterations.
- iteration 8: trace = 4.578987295163937 (0.0383056% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.578322878448064 (0.0145112% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.578003942463015 (0.00696646% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.577929653765463 (0.00162274% change)
- linmin: converged after 5 iterations.
- iteration 12: trace = 4.577907037545194 (0.000494028% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.577897255801734 (0.000213673% change)
- linmin: converged after 5 iterations.
- iteration 14: trace = 4.577895086336259 (4.739e-05% change)
- linmin: converged after 5 iterations.
- iteration 15: trace = 4.577894696365646 (8.51856e-06% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.57789463693543 (1.2982e-06% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.577894629221514 (1.68504e-07% change)
- linmin: converged after 2 iterations.
- iteration 18: trace = 4.577894627568718 (3.61038e-08% change)
- linmin: converged after 3 iterations.
- iteration 19: trace = 4.577894626939212 (1.3751e-08% change)
- linmin: converged after 5 iterations.
- iteration 20: trace = 4.577894626693606 (5.36505e-09% change)
- linmin: converged after 9 iterations.
- iteration 21: trace = 4.57789462661256 (1.77038e-09% change)
- linmin: converged after 4 iterations.
- iteration 22: trace = 4.577894626584484 (6.1328e-10% change)
- linmin: converged after 3 iterations.
- iteration 23: trace = 4.577894626574822 (2.11068e-10% change)
- linmin: converged after 4 iterations.
- iteration 24: trace = 4.577894626572792 (4.43323e-11% change)
-Finished solving for bands 2 to 8 after 24 iterations.
-tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
-elapsed time for k point: 0.06676578521728516
-solve_kpoint (0,0.1,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.573594159720884 (1.05882% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.5533624235809 (0.44334% change)
- linmin: converged after 3 iterations.
- iteration 3: trace = 4.549198778889174 (0.0914829% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.547235691259341 (0.0431617% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.546720480078164 (0.0113308% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.546675795887479 (0.000982783% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.546668812199723 (0.0001536% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.546667474444716 (2.94228e-05% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.546667093982199 (8.36794e-06% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.546667026314634 (1.48829e-06% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.546667010167314 (3.55146e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.546667005947763 (9.28054e-08% change)
- linmin: converged after 3 iterations.
- iteration 13: trace = 4.546667004173656 (3.90199e-08% change)
- linmin: converged after 2 iterations.
- iteration 14: trace = 4.546667003528526 (1.41891e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.546667003425869 (2.25786e-09% change)
- linmin: converged after 4 iterations.
- iteration 16: trace = 4.546667003411072 (3.25448e-10% change)
- linmin: converged after 2 iterations.
- iteration 17: trace = 4.546667003406389 (1.02987e-10% change)
- linmin: converged after 3 iterations.
- iteration 18: trace = 4.546667003404457 (4.25075e-11% change)
-Finished solving for bands 1 to 8 after 18 iterations.
-tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637
-elapsed time for k point: 0.06057929992675781
-solve_kpoint (0,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.480154501469817 (1.0243% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.462951577211212 (0.384719% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.458417513622179 (0.101645% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.456998073935351 (0.0318424% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.456802317102498 (0.00439222% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.456776714934251 (0.000574453% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.456772279362191 (9.95243e-05% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.456771848143082 (9.67559e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.45677180550385 (9.56729e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.456771799201276 (1.41416e-07% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.456771797345358 (4.16427e-08% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.456771796664019 (1.52877e-08% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.456771796571513 (2.07564e-09% change)
- linmin: converged after 4 iterations.
- iteration 14: trace = 4.456771796564526 (1.56759e-10% change)
- linmin: converged after 6 iterations.
- iteration 15: trace = 4.456771796562712 (4.07144e-11% change)
-Finished solving for bands 1 to 8 after 15 iterations.
-tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281
-elapsed time for k point: 0.05064272880554199
-solve_kpoint (0,0.3,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.372440119410637 (0.691847% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.366282685668829 (0.140923% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.364947654944967 (0.0305806% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.364626763463701 (0.00735182% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 4.364572744594429 (0.00123766% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.364566107346524 (0.000152071% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.364565316740354 (1.81142e-05% change)
- linmin: converged after 15 iterations.
- iteration 8: trace = 4.364565239126184 (1.77828e-06% change)
- linmin: converged after 6 iterations.
- iteration 9: trace = 4.364565234500086 (1.05992e-07% change)
- linmin: converged after 19 iterations.
- iteration 10: trace = 4.364565233724115 (1.77789e-08% change)
- linmin: converged after 12 iterations.
- iteration 11: trace = 4.364565233381509 (7.84974e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.364565233306733 (1.71325e-09% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 4.364565233299627 (1.62798e-10% change)
- linmin: converged after 7 iterations.
- iteration 14: trace = 4.364565233298253 (3.14811e-11% change)
-Finished solving for bands 1 to 8 after 14 iterations.
-tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598
-elapsed time for k point: 0.04782366752624512
-solve_kpoint (0,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.308394919604844 (0.552361% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.304883211984182 (0.0815417% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.304231324865016 (0.0151441% change)
- linmin: converged after 6 iterations.
- iteration 4: trace = 4.304101774804951 (0.00300988% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.304072509722035 (0.000679937% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.304070117659418 (5.55767e-05% change)
- linmin: converged after 18 iterations.
- iteration 7: trace = 4.304069984297116 (3.09852e-06% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.304069968915972 (3.57363e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.304069965945503 (6.90153e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.304069964779028 (2.71017e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.304069964479558 (6.95785e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.304069964440695 (9.02919e-10% change)
- linmin: converged after 6 iterations.
- iteration 13: trace = 4.304069964437598 (7.1957e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409
-elapsed time for k point: 0.04456305503845215
-solve_kpoint (0,0.5,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.287294007238772 (0.514399% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.28412496132847 (0.0739445% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.283595116492537 (0.0123684% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.283502303118704 (0.00216674% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.283478596024279 (0.000553453% change)
- linmin: converged after 3 iterations.
- iteration 6: trace = 4.28347715445874 (3.36541e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.28347707781069 (1.78939e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.283477070330029 (1.7464e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.283477066817817 (8.19944e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.283477065770438 (2.44516e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.283477065633831 (3.18914e-09% change)
- linmin: converged after 3 iterations.
- iteration 12: trace = 4.283477065618207 (3.64749e-10% change)
- linmin: converged after 8 iterations.
- iteration 13: trace = 4.283477065616427 (4.15529e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087
-elapsed time for k point: 0.04414057731628418
-solve_kpoint (-0.0666667,0.466667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.276566747825645 (0.530593% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.266858088831402 (0.227278% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.264882331994834 (0.0463154% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.264548458692773 (0.00782874% change)
- linmin: converged after 15 iterations.
- iteration 5: trace = 4.264488730548915 (0.00140058% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.264476449097829 (0.000287994% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.264474782181724 (3.90884e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.264474642738403 (3.26988e-06% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.264474631967129 (2.52581e-07% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.264474631257338 (1.66443e-08% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.264474631203496 (1.26256e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.264474631199773 (8.73084e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895
-elapsed time for k point: 0.04096055030822754
-solve_kpoint (-0.133333,0.433333,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.232489072565515 (0.358169% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.229105412374748 (0.0799769% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.228655882204029 (0.01063% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.228604967100096 (0.00120406% change)
- linmin: converged after 5 iterations.
- iteration 5: trace = 4.228597156343835 (0.000184713% change)
- linmin: converged after 15 iterations.
- iteration 6: trace = 4.228595847507817 (3.0952e-05% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.228595668484542 (4.23363e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.22859565366972 (3.50349e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.228595652361874 (3.09286e-08% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.228595652271399 (2.1396e-09% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.228595652264812 (1.55766e-10% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.228595652264469 (8.10758e-12% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413
-elapsed time for k point: 0.041066646575927734
-solve_kpoint (-0.2,0.4,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.198038763849723 (0.248355% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.196704784159248 (0.0317813% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.196585228731935 (0.00284883% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.196578318037076 (0.000164674% change)
- linmin: converged after 11 iterations.
- iteration 5: trace = 4.196577861660908 (1.0875e-05% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.196577824465235 (8.86333e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.196577821831919 (6.27491e-08% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.196577821279777 (1.3157e-08% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.196577821233547 (1.10163e-09% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.19657782122971 (9.14088e-11% change)
-Finished solving for bands 1 to 8 after 10 iterations.
-tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487
-elapsed time for k point: 0.034711360931396484
-solve_kpoint (-0.266667,0.366667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.176560952862595 (0.20622% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.175731928735249 (0.0198514% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.175658188677838 (0.00176593% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.175652343488816 (0.000139983% change)
- linmin: converged after 19 iterations.
- iteration 5: trace = 4.175651823639799 (1.24495e-05% change)
- linmin: converged after 36 iterations.
- iteration 6: trace = 4.175651765087074 (1.40224e-06% change)
- linmin: converged after 25 iterations.
- iteration 7: trace = 4.175651761832761 (7.79355e-08% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.175651761361389 (1.12886e-08% change)
- linmin: converged after 3 iterations.
- iteration 9: trace = 4.175651761335722 (6.14694e-10% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.175651761333511 (5.29421e-11% change)
-Finished solving for bands 1 to 8 after 10 iterations.
-tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597
-elapsed time for k point: 0.034993648529052734
-solve_kpoint (-0.333333,0.333333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.169192632974811 (0.188262% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.168494135847975 (0.0167552% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.168418925223787 (0.00180428% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.16841215172734 (0.000162496% change)
- linmin: converged after 2 iterations.
- iteration 5: trace = 4.168411725528161 (1.02245e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.168411690634318 (8.37102e-07% change)
- linmin: converged after 2 iterations.
- iteration 7: trace = 4.168411689651685 (2.35733e-08% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.168411689612854 (9.31558e-10% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.168411689609142 (8.90435e-11% change)
-Finished solving for bands 1 to 8 after 9 iterations.
-tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925
-elapsed time for k point: 0.03133273124694824
-solve_kpoint (-0.266667,0.266667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.201218407861228 (0.720819% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.198256255957313 (0.0705318% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.197890564842538 (0.00871093% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.197857649510742 (0.000784095% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.197854429378012 (7.6709e-05% change)
- linmin: converged after 2 iterations.
- iteration 6: trace = 4.197854075525582 (8.42936e-06% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 4.197854052380288 (5.5136e-07% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.19785405041534 (4.68084e-08% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.197854050317017 (2.34222e-09% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.197854050309857 (1.70554e-10% change)
- linmin: converged after 15 iterations.
- iteration 11: trace = 4.1978540503093 (1.3266e-11% change)
-Finished solving for bands 1 to 8 after 11 iterations.
-tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925
-elapsed time for k point: 0.03786325454711914
-solve_kpoint (-0.2,0.2,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.288243522338976 (0.732668% change)
- linmin: converged after 4 iterations.
- iteration 2: trace = 4.283958408011071 (0.099977% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.283371588299238 (0.013699% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.283281438838009 (0.00210466% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 4.283267824693608 (0.000317844% change)
- linmin: converged after 4 iterations.
- iteration 6: trace = 4.283266579370458 (2.90741e-05% change)
- linmin: converged after 3 iterations.
- iteration 7: trace = 4.283266497834246 (1.9036e-06% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.283266490102653 (1.80507e-07% change)
- linmin: converged after 2 iterations.
- iteration 9: trace = 4.283266489093188 (2.35676e-08% change)
- linmin: converged after 4 iterations.
- iteration 10: trace = 4.283266489000646 (2.16055e-09% change)
- linmin: converged after 3 iterations.
- iteration 11: trace = 4.28326648899116 (2.21481e-10% change)
- linmin: converged after 16 iterations.
- iteration 12: trace = 4.283266488990684 (1.11145e-11% change)
-Finished solving for bands 1 to 8 after 12 iterations.
-tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199
-elapsed time for k point: 0.0410313606262207
-solve_kpoint (-0.133333,0.133333,0):
-Solving for bands 1 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.420129679060166 (0.818903% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.412260674164766 (0.178185% change)
- linmin: converged after 4 iterations.
- iteration 3: trace = 4.410633634426059 (0.0368822% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.410197926814338 (0.00987906% change)
- linmin: converged after 6 iterations.
- iteration 5: trace = 4.410114427040233 (0.00189335% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.410103889016632 (0.000238952% change)
- linmin: converged after 5 iterations.
- iteration 7: trace = 4.410102421711938 (3.32714e-05% change)
- linmin: converged after 2 iterations.
- iteration 8: trace = 4.410102293698956 (2.90272e-06% change)
- linmin: converged after 4 iterations.
- iteration 9: trace = 4.410102277309542 (3.71633e-07% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.410102274815384 (5.65556e-08% change)
- linmin: converged after 4 iterations.
- iteration 11: trace = 4.410102274561977 (5.74606e-09% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.410102274546349 (3.54377e-10% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.410102274545239 (2.51544e-11% change)
-Finished solving for bands 1 to 8 after 13 iterations.
-tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113
-elapsed time for k point: 0.04418158531188965
-solve_kpoint (-0.0666667,0.0666667,0):
-Solving for bands 1 to 8...
- linmin: converged after 5 iterations.
- iteration 1: trace = 4.563328932101822 (1.027% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.54456039825868 (0.412138% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.537741031323391 (0.150168% change)
- linmin: converged after 5 iterations.
- iteration 4: trace = 4.535260913319922 (0.0546703% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.534595991553311 (0.0146622% change)
- linmin: converged after 5 iterations.
- iteration 6: trace = 4.534531477384966 (0.00142272% change)
- linmin: converged after 4 iterations.
- iteration 7: trace = 4.534520999244496 (0.000231075% change)
- linmin: converged after 5 iterations.
- iteration 8: trace = 4.534518657738525 (5.16374e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.534517831347479 (1.82245e-05% change)
- linmin: converged after 2 iterations.
- iteration 10: trace = 4.5345176853933 (3.21874e-06% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.534517644423108 (9.03518e-07% change)
- linmin: converged after 2 iterations.
- iteration 12: trace = 4.534517627208908 (3.79626e-07% change)
- linmin: converged after 2 iterations.
- iteration 13: trace = 4.534517623618735 (7.91743e-08% change)
- linmin: converged after 10 iterations.
- iteration 14: trace = 4.534517622906266 (1.57121e-08% change)
- linmin: converged after 4 iterations.
- iteration 15: trace = 4.534517622781561 (2.75014e-09% change)
- linmin: converged after 6 iterations.
- iteration 16: trace = 4.534517622760761 (4.5869e-10% change)
- linmin: converged after 4 iterations.
- iteration 17: trace = 4.534517622757202 (7.84853e-11% change)
-Finished solving for bands 1 to 8 after 17 iterations.
-tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149
-elapsed time for k point: 0.05739545822143555
-solve_kpoint (0,0,0):
-Solving for bands 2 to 8...
- linmin: converged after 4 iterations.
- iteration 1: trace = 4.620932082274213 (1.44492% change)
- linmin: converged after 5 iterations.
- iteration 2: trace = 4.585858477330618 (0.761907% change)
- linmin: converged after 5 iterations.
- iteration 3: trace = 4.579350993234686 (0.142004% change)
- linmin: converged after 4 iterations.
- iteration 4: trace = 4.578211771379698 (0.0248805% change)
- linmin: converged after 4 iterations.
- iteration 5: trace = 4.577956393189922 (0.00557828% change)
- linmin: converged after 6 iterations.
- iteration 6: trace = 4.577915173102074 (0.000900408% change)
- linmin: converged after 6 iterations.
- iteration 7: trace = 4.577900193795435 (0.000327209% change)
- linmin: converged after 3 iterations.
- iteration 8: trace = 4.577895724955969 (9.76177e-05% change)
- linmin: converged after 5 iterations.
- iteration 9: trace = 4.577894738564437 (2.15468e-05% change)
- linmin: converged after 9 iterations.
- iteration 10: trace = 4.577894647524328 (1.98869e-06% change)
- linmin: converged after 2 iterations.
- iteration 11: trace = 4.577894631981878 (3.39511e-07% change)
- linmin: converged after 4 iterations.
- iteration 12: trace = 4.577894627560065 (9.65905e-08% change)
- linmin: converged after 4 iterations.
- iteration 13: trace = 4.577894626684427 (1.91275e-08% change)
- linmin: converged after 3 iterations.
- iteration 14: trace = 4.577894626586346 (2.14248e-09% change)
- linmin: converged after 3 iterations.
- iteration 15: trace = 4.577894626573654 (2.77247e-10% change)
- linmin: converged after 2 iterations.
- iteration 16: trace = 4.577894626572483 (2.55711e-11% change)
-Finished solving for bands 2 to 8 after 16 iterations.
-tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832
-..
-======================================================================
-FAIL: test_diamond (__main__.TestModeSolver.test_diamond)
-----------------------------------------------------------------------
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 906, in test_diamond
- self.compare_h5_files(ref_path, res_path)
- ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 237, in compare_h5_files
- self.assertClose(ref[k][()], res[k][()], epsilon=1e-3)
- ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/tests/utils.py", line 29, in assertClose
- self.assertLessEqual(diff_norm, epsilon * np.maximum(x_norm, y_norm), msg)
- ~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
-AssertionError: np.float64(25.58265238651825) not less than or equal to np.float64(0.03691918193133089) :
-
-======================================================================
-FAIL: test_epsilon_input_file (__main__.TestModeSolver.test_epsilon_input_file)
-----------------------------------------------------------------------
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1744, in test_epsilon_input_file
- self.check_gap_list(expected_gap_list, ms.gap_list)
- ~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 213, in check_gap_list
- self.check_freqs(expected_gap_list, result)
- ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 210, in check_freqs
- self.assertAlmostEqual(r, e, places=3)
- ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^
-AssertionError: 1.4651880980149015 != 1.469257717113039 within 3 places (0.004069619098137522 difference)
-
-======================================================================
-FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab)
-----------------------------------------------------------------------
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 935, in test_hole_slab
- self.compare_h5_files(ref_path, res_path)
- ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 235, in compare_h5_files
- self.assertEqual(ref[k][()], res[k][()])
- ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^
-AssertionError: b'h field, kpoint 1, band 9, freq=0.592619' != b'h field, kpoint 1, band 9, freq=0.59253'
-
-======================================================================
-FAIL: test_output_efield_z (__main__.TestModeSolver.test_output_efield_z)
-----------------------------------------------------------------------
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 571, in test_output_efield_z
- self.compare_h5_files(ref_path, res_path)
- ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 237, in compare_h5_files
- self.assertClose(ref[k][()], res[k][()], epsilon=1e-3)
- ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/tests/utils.py", line 29, in assertClose
- self.assertLessEqual(diff_norm, epsilon * np.maximum(x_norm, y_norm), msg)
- ~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
-AssertionError: np.float64(2.35577178501025e-08) not less than or equal to np.float64(1.446824213066321e-08) :
-
-======================================================================
-FAIL: test_strip (__main__.TestModeSolver.test_strip)
-----------------------------------------------------------------------
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1194, in test_strip
- self.assertAlmostEqual(e, r, places=3)
- ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^
-AssertionError: -0.9945407488966614 != -0.9950905165813099 within 3 places (0.0005497676846484278 difference)
-
-----------------------------------------------------------------------
-Ran 47 tests in 269.880s
-
-FAILED (failures=5)
-elapsed time for k point: 0.04501080513000488
-Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0>
-Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797745 at Vector3<0.0, 0.0, 0.0>
-Band 4 range: 0.5932960873585141 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0>
-Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0>
-Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0>
-Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0>
-Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0>
-Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506%
-Gap from band 3 (0.5605607947797745) to band 4 (0.5932960873585141), 5.674064623695046%
-Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144%
-Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158%
-Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939%
-total elapsed time for run: 0.7257387638092041
-done
-/tmp/meepg15Lzl/test_triangular_lattice-0: 0.73s
-
-/tmp/meepg15Lzl/test_update_band_range_data-0
-========================
-/tmp/meepg15Lzl/test_update_band_range_data-0: 0.00s
-
-Elapsed run time = 269.9041 s
-FAIL tests/test_mpb.py (exit status: 1)
-
-FAIL: tests/test_mode_decomposition
-===================================
-
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mode_decomposition.py", line 4, in <module>
- import parameterized
-ModuleNotFoundError: No module named 'parameterized'
-FAIL tests/test_mode_decomposition.py (exit status: 1)
-
-FAIL: tests/test_multilevel_atom
-================================
-
-Matplotlib created a temporary cache directory at /tmp/matplotlib-4vbyg2hk because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
------------
-Initializing structure...
-time for choose_chunkdivision = 3.19481e-05 s
-Working in 1D dimensions.
-Computational cell is 0 x 0 x 3 with resolution 40
- block, center = (0,0,-1)
- size (1e+20,1e+20,1)
- axes (1,0,0), (0,1,0), (0,0,1)
- dielectric constant epsilon diagonal = (2.25,2.25,2.25)
-time for set_epsilon = 6.10352e-05 s
-multilevel atom susceptibility
------------
-Meep progress: 2964.1125/7000.0 = 42.3% done in 4.0s, 5.4s to go
-on time step 237129 (time=2964.11), 1.68686e-05 s/step
-Meep progress: 5880.887500000001/7000.0 = 84.0% done in 8.0s, 1.5s to go
-on time step 470473 (time=5880.91), 1.71421e-05 s/step
-F
-======================================================================
-FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom)
-----------------------------------------------------------------------
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_multilevel_atom.py", line 77, in test_multilevel_atom
- sim.run(mp.at_end(check_field), until=7000)
- ~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 4536, in run
- self._run_until(until, step_funcs)
- ~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 2841, in _run_until
- _eval_step_func(self, func, "finish")
- ~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 5006, in _eval_step_func
- func(sim, todo)
- ~~~~^^^^^^^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 5087, in _end
- _eval_step_func(sim, func, "step")
- ~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 5004, in _eval_step_func
- func(sim)
- ~~~~^^^^^
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_multilevel_atom.py", line 73, in check_field
- self.assertAlmostEqual(fp, -2.7110969214986387)
- ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^
-AssertionError: -0.04452311652305546 != -2.7110969214986387 within 7 places (2.666573804975583 difference)
-
-----------------------------------------------------------------------
-Ran 1 test in 9.512s
-
-FAILED (failures=1)
-
-Elapsed run time = 9.5142 s
-FAIL tests/test_multilevel_atom.py (exit status: 1)
-
-FAIL: tests/test_pml_cyl
-========================
-
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_pml_cyl.py", line 2, in <module>
- import parameterized
-ModuleNotFoundError: No module named 'parameterized'
-FAIL tests/test_pml_cyl.py (exit status: 1)
-
-FAIL: tests/test_refl_angular
-=============================
-
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_refl_angular.py", line 6, in <module>
- import parameterized
-ModuleNotFoundError: No module named 'parameterized'
-FAIL tests/test_refl_angular.py (exit status: 1)
-
-FAIL: tests/test_ring
-=====================
-
-Matplotlib created a temporary cache directory at /tmp/matplotlib-j43ulqkk because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing.
------------
-Initializing structure...
-Halving computational cell along direction y
-time for choose_chunkdivision = 0.000141859 s
-Working in 2D dimensions.
-Computational cell is 16 x 16 x 0 with resolution 10
- cylinder, center = (0,0,0)
- radius 2, height 1e+20, axis (0, 0, 1)
- dielectric constant epsilon diagonal = (11.56,11.56,11.56)
- cylinder, center = (0,0,0)
- radius 1, height 1e+20, axis (0, 0, 1)
- dielectric constant epsilon diagonal = (1,1,1)
-time for set_epsilon = 0.0249832 s
------------
-Meep: using output directory '/tmp/meepXz02X0'
-creating output file "/tmp/meepXz02X0/test_ring-eps-000000.00.h5"...
-Fharminv0:, frequency, imag. freq., Q, |amp|, amplitude, error
-harminv0:, 0.11809283891634406, -0.0007452502346727954, 79.23032655480687, 0.003456670970555829, -0.003101645043636964-0.0015259004626664333i, 6.11486569740144e-07+0.0i
-harminv0:, 0.14717195647548612, -0.00021478968139173544, 342.59549975092267, 0.02815407643858081, 0.018767821724729936+0.020986207085088204i, 3.8067841308090843e-07+0.0i
-harminv0:, 0.17525084853535935, -4.9430552282103865e-05, 1772.6976580717694, 0.007182845877209669, -0.0007884862844628182-0.007139437251980156i, 7.605658690038468e-07+0.0i
-run 0 finished at t = 400.0 (8000 timesteps)
------------
-Initializing structure...
-Halving computational cell along direction y
-time for choose_chunkdivision = 0.000151157 s
-Working in 2D dimensions.
-Computational cell is 16 x 16 x 0 with resolution 10
- cylinder, center = (0,0,0)
- radius 2, height 1e+20, axis (0, 0, 1)
- dielectric constant epsilon diagonal = (11.56,11.56,11.56)
- cylinder, center = (0,0,0)
- radius 1, height 1e+20, axis (0, 0, 1)
- dielectric constant epsilon diagonal = (1,1,1)
-time for set_epsilon = 0.024792 s
------------
-/usr/lib/python3/dist-packages/scipy/interpolate/_pade.py:63: LinAlgWarning: Ill-conditioned matrix (rcond=1.59663e-20): result may not be accurate.
- pq = linalg.solve(C, an)
-.
-======================================================================
-FAIL: test_harminv (__main__.TestRing.test_harminv)
-----------------------------------------------------------------------
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_ring.py", line 67, in test_harminv
- self.assertAlmostEqual(m1.amp.real, -0.00304951667301, places=4)
- ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
-AssertionError: -0.003101645043636964 != -0.00304951667301 within 4 places (5.2128370626963825e-05 difference)
-
-----------------------------------------------------------------------
-Ran 2 tests in 10.338s
-
-FAILED (failures=1)
-Meep: using output directory '/tmp/meepXz02X0'
-harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error
-harminv0:, 0.11809283891634406, -0.0007452502346727954, 79.23032655480687, 0.003456670970555829, -0.003101645043636964-0.0015259004626664333i, 6.11486569740144e-07+0.0i
-harminv0:, 0.14717195647548612, -0.00021478968139173544, 342.59549975092267, 0.02815407643858081, 0.018767821724729936+0.020986207085088204i, 3.8067841308090843e-07+0.0i
-harminv0:, 0.17525084853535935, -4.9430552282103865e-05, 1772.6976580717694, 0.007182845877209669, -0.0007884862844628182-0.007139437251980156i, 7.605658690038468e-07+0.0i
-run 0 finished at t = 400.0 (8000 timesteps)
-
-Elapsed run time = 10.5307 s
-FAIL tests/test_ring.py (exit status: 1)
-
-FAIL: tests/test_special_kz
-===========================
-
-Traceback (most recent call last):
- File "/build/reproducible-path/meep-1.29.0/python/./tests/test_special_kz.py", line 6, in <module>
- import parameterized
-ModuleNotFoundError: No module named 'parameterized'
-FAIL tests/test_special_kz.py (exit status: 1)
-
-## check whether testsuite runs everywhere
-#make check; \
-#cat python/test-suite.log
-make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
- create-stamp debian/debhelper-build-stamp
- dh_prep
- debian/rules override_dh_auto_install
-make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
-dh_installchangelogs NEWS.md
-dh_auto_install
- make -j1 install DESTDIR=/build/reproducible-path/meep-1.29.0/debian/tmp AM_UPDATE_INFO_DIR=no
-make[2]: Entering directory '/build/reproducible-path/meep-1.29.0'
-Making install in src
-make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
-make install-recursive
-make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
-Making install in support
-make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support'
-make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support'
-make[6]: Nothing to be done for 'install-exec-am'.
-make[6]: Nothing to be done for 'install-data-am'.
-make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support'
-make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support'
-make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
-make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src'
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu'
- /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu'
-libtool: install: /usr/bin/install -c .libs/libmeep.so.33.0.0 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.so.33.0.0
-libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so.33 || { rm -f libmeep.so.33 && ln -s libmeep.so.33.0.0 libmeep.so.33; }; })
-libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.33.0.0 libmeep.so; }; })
-libtool: install: /usr/bin/install -c .libs/libmeep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.la
-libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a
-libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a
-libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a
-libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu'
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include'
- /usr/bin/install -c -m 644 meep.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include'
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep'
- /usr/bin/install -c -m 644 meep/mympi.hpp meep/vec.hpp meep/meep-config.h meepgeom.hpp material_data.hpp adjust_verbosity.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep'
-make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
-make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
-make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
-make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src'
-Making install in tests
-make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
-make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests'
-make[4]: Nothing to be done for 'install-exec-am'.
-make[4]: Nothing to be done for 'install-data-am'.
-make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
-make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests'
-Making install in scheme
-make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
-make install-am
-make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
-make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme'
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin'
- /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin'
-libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/aarch64-linux-gnu'
-libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin/meep
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep'
- /usr/bin/install -c -m 644 meep.scm meep-enums.scm casimir.scm materials.scm '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep'
-make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
-make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
-make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme'
-Making install in libpympb
-make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb'
-make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb'
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu'
- /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu'
-libtool: warning: relinking 'libpympb.la'
-libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
-libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0
-libtool: install: /usr/bin/install -c .libs/libpympb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.so.33.0.0
-libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so.33 || { rm -f libpympb.so.33 && ln -s libpympb.so.33.0.0 libpympb.so.33; }; })
-libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so || { rm -f libpympb.so && ln -s libpympb.so.33.0.0 libpympb.so; }; })
-libtool: install: /usr/bin/install -c .libs/libpympb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.la
-libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a
-libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a
-libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a
-libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu'
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep'
- /usr/bin/install -c -m 644 pympb.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep'
-make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb'
-make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb'
-Making install in python
-make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
-make install-am
-make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
-make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep'
- /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep'
-libtool: warning: relinking '_meep.la'
-libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
-libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0
-libtool: install: /usr/bin/install -c .libs/_meep.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.so.33.0.0
-libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so.33 || { rm -f _meep.so.33 && ln -s _meep.so.33.0.0 _meep.so.33; }; })
-libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so || { rm -f _meep.so && ln -s _meep.so.33.0.0 _meep.so; }; })
-libtool: install: /usr/bin/install -c .libs/_meep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.la
-libtool: install: /usr/bin/install -c .libs/_meep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a
-libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a
-libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a
-libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep'
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint'
- /usr/bin/install -c -m 644 ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint'
-Byte-compiling python modules...
-__init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py
-Byte-compiling python modules (optimized versions) ...
-__init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py
-Byte-compiling python modules (more optimized versions) ...
-__init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep'
- /usr/bin/install -c -m 644 __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep'
-Byte-compiling python modules...
-__init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py
-Byte-compiling python modules (optimized versions) ...
-__init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py
-Byte-compiling python modules (more optimized versions) ...
-__init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb'
- /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb'
-libtool: warning: relinking '_mpb.la'
-libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp)
-libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0
-libtool: install: /usr/bin/install -c .libs/_mpb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.so.33.0.0
-libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so.33 || { rm -f _mpb.so.33 && ln -s _mpb.so.33.0.0 _mpb.so.33; }; })
-libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so || { rm -f _mpb.so && ln -s _mpb.so.33.0.0 _mpb.so; }; })
-libtool: install: /usr/bin/install -c .libs/_mpb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.la
-libtool: install: /usr/bin/install -c .libs/_mpb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a
-libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a
-libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a
-libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep/mpb'
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb'
- /usr/bin/install -c -m 644 mpb.py solver.py mpb_data.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb'
-Byte-compiling python modules...
-mpb.py solver.py mpb_data.py
-Byte-compiling python modules (optimized versions) ...
-mpb.py solver.py mpb_data.py
-Byte-compiling python modules (more optimized versions) ...
-mpb.py solver.py mpb_data.py
-make install-data-hook
-make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python'
-mv /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/mpb.py /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/__init__.py
-make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
-make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
-make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
-make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python'
-make[3]: Entering directory '/build/reproducible-path/meep-1.29.0'
-make[4]: Entering directory '/build/reproducible-path/meep-1.29.0'
-make[4]: Nothing to be done for 'install-exec-am'.
- /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig'
- /usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig'
-make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0'
-make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0'
-make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0'
-rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyc
-rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyo
-rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyc
-rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyo
-rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.a
-rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.la
-rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyc
-rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyo
-rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.a
-rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.la
-rm -f -f debian/tmp/usr/lib/*/libpympb.la
-rm -f -f debian/tmp/usr/lib/*/libmeep.la
-rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/__pycache__/
-rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/adjoint/__pycache__/
-rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/mpb/__pycache__/
-make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
- dh_install
- dh_installdocs
- dh_installchangelogs
- dh_installman
- dh_lintian
- dh_perl
- dh_link
- dh_strip_nondeterminism
- dh_compress
- dh_fixperms
- dh_missing
- dh_dwz -a
- dh_strip -a
- dh_makeshlibs -a
- debian/rules override_dh_shlibdeps
-make[1]: Entering directory '/build/reproducible-path/meep-1.29.0'
-dh_shlibdeps
-dpkg-shlibdeps: warning: diversions involved - output may be incorrect
- diversion by libc6 from: /lib/ld-linux-aarch64.so.1
-dpkg-shlibdeps: warning: diversions involved - output may be incorrect
- diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged
-dpkg-shlibdeps: warning: diversions involved - output may be incorrect
- diversion by libc6 from: /lib/ld-linux-aarch64.so.1
-dpkg-shlibdeps: warning: diversions involved - output may be incorrect
- diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged
-dpkg-shlibdeps: warning: diversions involved - output may be incorrect
- diversion by libc6 from: /lib/ld-linux-aarch64.so.1
-dpkg-shlibdeps: warning: diversions involved - output may be incorrect
- diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged
-dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyType_Modified: it's probably a plugin
-dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all)
-dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyObject_GenericGetAttr: it's probably a plugin
-dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all)
-dh_numpy3
-Possible precedence issue with control flow operator (return) at /usr/bin/dh_numpy3 line 57.
-dh_numpy3: warning: skipping binary package meep which does not depend on the NumPy C ABI
-dh_numpy3: warning: skipping binary package libmeep33 which does not depend on the NumPy C ABI
-dh_numpy3: warning: skipping binary package libmeep-dev which does not depend on the NumPy C ABI
-make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0'
- dh_installdeb
- dh_gencontrol
-dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined
-dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined
- dh_md5sums
- dh_builddeb
-dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-2_arm64.deb'.
-dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-2_arm64.deb'.
-dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-2_arm64.deb'.
-dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-2_arm64.deb'.
-dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-2_arm64.deb'.
-dpkg-deb: building package 'meep' in '../meep_1.29.0-2_arm64.deb'.
-dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-2_arm64.deb'.
- dpkg-genbuildinfo --build=binary -O../meep_1.29.0-2_arm64.buildinfo
- dpkg-genchanges --build=binary -O../meep_1.29.0-2_arm64.changes
-dpkg-genchanges: info: binary-only upload (no source code included)
- dpkg-source --after-build .
-dpkg-buildpackage: info: binary-only upload (no source included)
-dpkg-genchanges: info: not including original source code in upload
+make[2]: *** [Makefile:523: all-recursive] Terminated
+make[1]: *** [Makefile:430: all] Terminated
+make: *** wait: No child processes. Stop.
+make: *** Waiting for unfinished jobs....
+make: *** wait: No child processes. Stop.
+Terminated
I: copying local configuration
+Terminated
+make[4]: *** [Makefile:914: _meep_la-meep-python.lo] Error 1
+make[3]: *** [Makefile:767: all] Terminated
+E: Failed autobuilding of package
+I: user script /srv/workspace/pbuilder/62182/tmp/hooks/C01_cleanup starting
+debug output: disk usage on i-capture-the-hostname at Mon Mar 24 12:34:13 UTC 2025
+Filesystem Size Used Avail Use% Mounted on
+tmpfs 30G 0 30G 0% /dev/shm
+
+I: user script /srv/workspace/pbuilder/62182/tmp/hooks/C01_cleanup finished
I: unmounting dev/ptmx filesystem
I: unmounting dev/pts filesystem
I: unmounting dev/shm filesystem
I: unmounting proc filesystem
I: unmounting sys filesystem
I: cleaning the build env
-I: removing directory /srv/workspace/pbuilder/1614624 and its subdirectories
-I: Current time: Sun Apr 26 06:43:29 -12 2026
-I: pbuilder-time-stamp: 1777229009
+I: removing directory /srv/workspace/pbuilder/62182 and its subdirectories